SCHEMBL6569934

SCHEMBL6569934

C[C](C)C(C)CCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.59
SMN1; SMN2 Q16637 3/20 0.47
MEN1 O00255 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
HPGD P15428 1/20 0.47
ALDH1A1 P00352 3/20 0.47
OPRK1 P41145 1/20 0.46
KDM4E B2RXH2 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
POLB P06746 1/20 0.44
ANPEP P15144 2/20 0.44
ERAP1 Q9NZ08 2/20 0.44
ERAP2 Q6P179 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL6569353 0.88 TSHR (0.47) TSHRSMN1; SMN2KMT2AHPGDALDH1A1
SCHEMBL6568205 0.86 LTB4R (0.49) TSHRKMT2AHPGDALDH1A1CYP2C9
SCHEMBL13971409 0.83 TSHR (0.66) TSHRSMN1; SMN2MEN1HTTKMT2A
SCHEMBL6178883 0.83 TSHR (0.66) TSHRSMN1; SMN2MEN1HTTKMT2A
SCHEMBL16743937 0.83 TSHR (0.66) TSHRSMN1; SMN2MEN1HTTKMT2A
SCHEMBL7369032 0.82 TSHR (0.54) TSHRSMN1; SMN2MEN1HTTKMT2A
SCHEMBL1073143 0.81 TSHR (0.68) TSHRSMN1; SMN2MEN1HTTKMT2A
SCHEMBL264775 0.81 TSHR (0.68) TSHRSMN1; SMN2MEN1HTTKMT2A
SCHEMBL12670558 0.81 TSHR (0.68) TSHRSMN1; SMN2MEN1HTTKMT2A
SCHEMBL11183419 0.81 TSHR (0.58) TSHRSMN1; SMN2MEN1HTTKMT2A

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 19 patents. 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-1127049-A1 BRIDGED HETEROCYCLIC DERIVATIVES GPI NIL Holdings, Inc. (US) 2001-08-29 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
EP-1083873-A1 HETEROCYCLIC THIOESTER AND KETONE HAIR GROWTH COMPOSITIONS AND USES GPI NIL Holdings, Inc. (US) 2001-03-21 EP disclosed
EP-1011650-A1 METHOD FOR PREVENTING AND TREATING HEARING LOSS USING SENSORINEUROTROPHIC COMPOUNDS Amgen Inc., (US) 2000-06-28 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-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
US-6005116-A HAVE INHIBITION ACTIVITIES AGAINST TYPE A-MONOAMINE OXIDASE; TREATING OR PREVENTING DEPRESSION, PARKINSON'S DISEASE, ALZEHEIMER'S DEMENTIA, OR CEREBROVASCULAR DEMENTIA SANKYO COMPANY, LIMITED (JP) 1999-12-21 US disclosed
WO-1999062488-A1 HETEROCYCLIC THIOESTER AND KETONE HAIR GROWTH COMPOSITIONS AND USES GPI NIL HOLDINGS, INC. (US) 1999-12-09 WO disclosed
WO-1999014998-A2 METHOD FOR PREVENTING AND TREATING HEARING LOSS USING SENSORINEUROTROPHIC COMPOUNDS AMGEN INC. (US) 1999-04-01 WO disclosed
EP-0885891-A1 ISOXAZOLE DERIVATIVES SANKYO COMPANY LIMITED (JP) 1998-12-23 EP disclosed
WO-1998055090-A1 HAIR GROWTH COMPOSITIONS AND USES GUILFORD PHARMACEUTICALS INC. (US) 1998-12-10 WO disclosed
EP-0722436-A4 MERCAPTOSULFIDE METALLOPROTEINASE INHIBITORS UNIV FLORIDA STATE (US) 1996-11-20 EP disclosed
EP-0722436-A1 MERCAPTOSULFIDE METALLOPROTEINASE INHIBITORS FLORIDA STATE UNIVERSITY (US) 1996-07-24 EP disclosed
WO-1995009833-A1 MERCAPTOSULFIDE METALLOPROTEINASE INHIBITORS FLORIDA STATE UNIVERSITY (US) 1995-04-13 WO disclosed