SCHEMBL6568205

SCHEMBL6568205

C[C](C)C(C)CCCCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 3/20 0.49
SIGMAR1 Q99720 4/20 0.46
TSHR P16473 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAOA P21397 1/20 0.45
KMT2A Q03164 2/20 0.45
TRPA1 O75762 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45

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 0.94 TSHR (0.47) LTB4RSIGMAR1TSHRKMT2AALDH1A1
SCHEMBL6569934 0.86 TSHR (0.59) TSHRKMT2AALDH1A1HPGDCYP2C9
SCHEMBL2576418 0.84 LTB4R (0.46) LTB4RSIGMAR1TSHRL3MBTL1KMT2A
SCHEMBL7385392 0.83 LTB4R (0.66) LTB4RTSHRKMT2ATRPA1ALDH1A1
SCHEMBL17027837 0.81 LTB4R (0.68) LTB4RTSHRKMT2ATRPA1ALDH1A1
SCHEMBL6344592 0.81 LTB4R (0.68) LTB4RTSHRKMT2ATRPA1ALDH1A1
SCHEMBL17027841 0.81 LTB4R (0.68) LTB4RTSHRKMT2ATRPA1ALDH1A1
SCHEMBL6971015 0.81 LTB4R (0.68) LTB4RTSHRKMT2ATRPA1ALDH1A1
SCHEMBL3928178 0.80 LTB4R (0.52) LTB4RTSHRKMT2ATRPA1ALDH1A1
SCHEMBL560219 0.80 TRPA1 (0.51) SIGMAR1L3MBTL1MAOAKMT2ATRPA1

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 6 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-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-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