SCHEMBL6567776

SCHEMBL6567776

CC(C)(C)[CH]CCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
CASP1 P29466 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TAAR1 Q96RJ0 4/20 0.41
ATM Q13315 1/20 0.41
SLC6A2 P23975 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
CYP2A6 P11509 1/20 0.41
HTR2A P28223 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
GPR52 Q9Y2T5 2/20 0.40
AOC3 Q16853 1/20 0.39
LMNA P02545 1/20 0.39
CYP2D6 P10635 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL7405977 0.81 GPR52 (0.41) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL7393666 0.79 KCNH2 (0.37) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL28437962 0.78 GPR52 (0.46) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL2915950 0.77 ALDH1A1 (0.42) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL315315 0.76 MAOB (0.52) ALDH1A1TAAR1SLC6A2LMNACYP2D6
SCHEMBL184329 0.73 GPR52 (0.48) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL7762166 0.72 GPR52 (0.57) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL7762164 0.72 GPR52 (0.57) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL205556 0.72 ALDH1A1 (0.52) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL9715286 0.72 GPR52 (0.57) ALDH1A1HPGDALOX15ALOX12CASP1

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-1127049-A1 BRIDGED HETEROCYCLIC DERIVATIVES GPI NIL Holdings, Inc. (US) 2001-08-29 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
WO-1999014998-A2 METHOD FOR PREVENTING AND TREATING HEARING LOSS USING SENSORINEUROTROPHIC COMPOUNDS AMGEN INC. (US) 1999-04-01 WO disclosed