SCHEMBL7428595

SCHEMBL7428595

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.39
KCNN4 O15554 3/20 0.38
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 2/20 0.35
HIF1A Q16665 1/20 0.35
ALDH1A1 P00352 2/20 0.34
ALOX15 P16050 1/20 0.34
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
CYP3A4 P08684 1/20 0.33
NR3C2 P08235 1/20 0.33
KMT2A Q03164 2/20 0.32
MAPT P10636 1/20 0.32
MEN1 O00255 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
NPY2R P49146 1/20 0.32
TP53 P04637 1/20 0.31

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
SCHEMBL11903610 0.85 TAAR1 (0.43) TAAR1KCNN4MAPK1CYP2C19HIF1A
SCHEMBL6570649 0.80 TAAR1 (0.43) TAAR1KCNN4MAPK1CYP2C19HIF1A
SCHEMBL1059140 0.74 KCNN4 (0.48) TAAR1KCNN4MAPK1CYP2C19HIF1A
SCHEMBL3698483 0.73 TAAR1 (0.44) TAAR1KCNN4MAPK1CYP2C19HIF1A
SCHEMBL1287614 0.73 TAAR1 (0.44) TAAR1KCNN4MAPK1CYP2C19HIF1A
SCHEMBL7932124 0.73 TAAR1 (0.44) TAAR1KCNN4MAPK1CYP2C19HIF1A
SCHEMBL9579241 0.71 TAAR1 (0.43) TAAR1KCNN4MAPK1CYP2C19HIF1A
SCHEMBL1244899 0.71 ESR1 (0.43) TAAR1KCNN4MAPK1CYP2C19HIF1A
SCHEMBL1720942 0.70 TAAR1 (0.58) TAAR1KCNN4MAPK1CYP2C19HIF1A
SCHEMBL4249887 0.70 TAAR1 (0.46) TAAR1KCNN4MAPK1CYP2C19HIF1A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1127049-A1 BRIDGED HETEROCYCLIC DERIVATIVES GPI NIL Holdings, Inc. (US) 2001-08-29 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-2000016603-A2 BRIDGED HETEROCYCLIC DERIVATIVES GPI NIL HOLDINGS, INC. (US) 2000-03-30 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