SCHEMBL6570649

SCHEMBL6570649

[CH2]CC(c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.43
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
ALDH1A1 P00352 3/20 0.38
ALOX15 P16050 1/20 0.38
KCNN4 O15554 4/20 0.37
ESR1 P03372 2/20 0.37
ESR2 Q92731 2/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 2/20 0.35
CYP2D6 P10635 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
OPRM1 P35372 1/20 0.33
DRD3 P35462 1/20 0.33

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
SCHEMBL7428595 0.80 TAAR1 (0.39) TAAR1MAPK1CYP2C19HIF1AALDH1A1
SCHEMBL7932124 0.78 TAAR1 (0.44) TAAR1MAPK1CYP2C19HIF1AALDH1A1
SCHEMBL4249887 0.75 TAAR1 (0.46) TAAR1MAPK1CYP2C19HIF1AALDH1A1
SCHEMBL1720942 0.75 TAAR1 (0.58) TAAR1MAPK1CYP2C19HIF1AALDH1A1
SCHEMBL6062105 0.71 CYP2C19 (0.46) TAAR1MAPK1CYP2C19HIF1AALDH1A1
SCHEMBL1313612 0.71 MAPK1 (0.41) TAAR1MAPK1CYP2C19HIF1AALDH1A1
SCHEMBL2127725 0.70 TAAR1 (0.38) TAAR1MAPK1CYP2C19HIF1AALDH1A1
SCHEMBL2065461 0.70 TAAR1 (0.58) TAAR1MAPK1CYP2C19HIF1AALDH1A1
SCHEMBL439212 0.69 KIF11 (0.46) TAAR1MAPK1CYP2C19ALDH1A1KCNN4
SCHEMBL1059140 0.69 KCNN4 (0.48) TAAR1MAPK1CYP2C19HIF1AALDH1A1

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 9 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-1107752-A1 PYRROLIDINE DERIVATIVES FOR VISION AND MEMORY DISORDERS GPI NIL Holdings, Inc. (US) 2001-06-20 EP disclosed
US-6140357-A STIMULATING GROWTH OF DAMAGED PERIPHERAL NERVES BY ADMINISTERING TO DAMAGED PERIPHERAL NERVES NEUROTROPHIC N-GLYOXYLPROLYL ESTER COMPOUNDHAVING AN AFFINITY FOR IMMUNOPHILINS GPI NIL HOLDINGS, INC. (US) 2000-10-31 US disclosed
EP-1011650-A1 METHOD FOR PREVENTING AND TREATING HEARING LOSS USING SENSORINEUROTROPHIC COMPOUNDS Amgen Inc., (US) 2000-06-28 EP disclosed
WO-2000009124-A1 PYRROLIDINE DERIVATIVES FOR VISION AND MEMORY DISORDERS GPI NIL HOLDINGS, INC. (US) 2000-02-24 WO disclosed
WO-1999014998-A2 METHOD FOR PREVENTING AND TREATING HEARING LOSS USING SENSORINEUROTROPHIC COMPOUNDS AMGEN INC. (US) 1999-04-01 WO disclosed
US-5859031-A Small molecule inhibitors of rotamase enzyme activity GPI NIL HOLDINGS, INC. (US) 1999-01-12 US disclosed
US-5795908-A FKBP IMMUNOPHILINS FOR ENZYME INHIBITORS GPI NIL HOLDINGS, INC. (US) 1998-08-18 US disclosed