SCHEMBL6569353

SCHEMBL6569353

C[C](C)C(C)CCCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 1/20 0.45
PKM P14618 1/20 0.45
SIGMAR1 Q99720 2/20 0.44
HDAC3 O15379 1/20 0.44
MAPK1 P28482 1/20 0.44
ADRA1A P35348 1/20 0.44
HDAC4 P56524 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HDAC1 Q13547 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6568205 0.94 LTB4R (0.49) TSHRCYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL6569934 0.88 TSHR (0.59) TSHRCYP2C9CYP2C19KMT2ASMN1; SMN2
SCHEMBL16841361 0.85 TSHR (0.53) TSHRCYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL15579910 0.85 TSHR (0.53) TSHRCYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL13235842 0.85 TSHR (0.53) TSHRCYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL19293047 0.83 KMT2A (0.46) TSHRCYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL3254192 0.82 LTB4R (0.59) TSHRCYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL15587062 0.82 LTB4R (0.59) TSHRCYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL8826605 0.82 LTB4R (0.59) TSHRCYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL7598869 0.79 TSHR (0.51) TSHRCYP2D6CYP2C9CYP2C19KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1404325-A2 METHOD FOR TREATING NERVE INJURY CAUSED BY SURGERY GUILFORD PHARMACEUTICALS INC. (US) 2004-04-07 EP disclosed
WO-2002096420-A2 METHOD FOR TREATING NERVE INJURY CAUSED BY SURGERY GUILFORD PHARMACEUTICALS INC. (US) 2002-12-05 WO disclosed
EP-1233945-A1 HETEROCYCLIC KETONE AND THIOESTER COMPOUNDS AND USES GPI NIL Holdings, Inc. (US) 2002-08-28 EP disclosed
EP-1127049-A1 BRIDGED HETEROCYCLIC DERIVATIVES GPI NIL Holdings, Inc. (US) 2001-08-29 EP disclosed
EP-1105130-A2 HETEROCYCLIC ESTERS OR AMIDES FOR VISION AND MEMORY DISORDERS GPI NIL Holdings, Inc. (US) 2001-06-13 EP disclosed
EP-1105112-A2 COMPOSITIONS AND USES FOR VISION AND MEMORY DISORDERS GPI NIL Holdings, Inc. (US) 2001-06-13 EP disclosed
EP-1104298-A2 HETEROCYCLIC THIOESTERS OR KETONES FOR VISION AND MEMORY DISORDERS GPI NIL Holdings, Inc. (US) 2001-06-06 EP disclosed
WO-2001038304-A1 HETEROCYCLIC KETONE AND THIOESTER COMPOUNDS AND USES GPI NIL HOLDINGS, INC. (US) 2001-05-31 WO disclosed
EP-1085853-A1 HETEROCYCLIC ESTER AND AMIDE HAIR GROWTH COMPOSITIONS AND USES GPI NIL Holdings, Inc. (US) 2001-03-28 EP disclosed
EP-1083873-A1 HETEROCYCLIC THIOESTER AND KETONE HAIR GROWTH COMPOSITIONS AND USES GPI NIL Holdings, Inc. (US) 2001-03-21 EP disclosed
WO-2000016603-A2 BRIDGED HETEROCYCLIC DERIVATIVES GPI NIL HOLDINGS, INC. (US) 2000-03-30 WO disclosed
EP-0983054-A1 HAIR GROWTH COMPOSITIONS AND USES GPI NIL Holdings, Inc. (US) 2000-03-08 EP disclosed
WO-2000009112-A2 HETEROCYCLIC ESTERS OR AMIDES FOR VISION AND MEMORY DISORDERS GPI NIL HOLDINGS, INC. (US) 2000-02-24 WO disclosed
WO-2000009108-A2 COMPOSITIONS AND USES FOR VISION AND MEMORY DISORDERS GPI NIL HOLDINGS, INC. (US) 2000-02-24 WO disclosed
WO-2000009479-A2 HETEROCYCLIC THIOESTERS OR KETONES FOR VISION AND MEMORY DISORDERS GPI NIL HOLDINGS, INC. (US) 2000-02-24 WO disclosed
WO-1999062487-A1 HETEROCYCLIC ESTER AND AMIDE HAIR GROWTH COMPOSITIONS AND USES GPI NIL HOLDINGS, INC. (US) 1999-12-09 WO disclosed
WO-1999062488-A1 HETEROCYCLIC THIOESTER AND KETONE HAIR GROWTH COMPOSITIONS AND USES GPI NIL HOLDINGS, INC. (US) 1999-12-09 WO disclosed
US-5990131-A OF GIVEN FORMULA WHICH HAVE A HIGH AFFINITY FOR FKBPS (FK506 BINDING PROTEINS, A CLASS OF IMMUNOPHILINS) ARE POTENT ROTAMASE INHIBITORS AND EXHIBIT EXCELLENT NEUROTROPHIC EFFECTS; NO IMMUNOSUPPRESSIVE ACTIVITY GPI NIL HOLDINGS INC. (US) 1999-11-23 US disclosed
WO-1999014998-A2 METHOD FOR PREVENTING AND TREATING HEARING LOSS USING SENSORINEUROTROPHIC COMPOUNDS AMGEN INC. (US) 1999-04-01 WO disclosed
WO-1998055090-A1 HAIR GROWTH COMPOSITIONS AND USES GUILFORD PHARMACEUTICALS INC. (US) 1998-12-10 WO disclosed