SCHEMBL9745009

SCHEMBL9745009

CCCc1c(O)cc(C(C)C)cc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.47
GABRB2 P47870 1/20 0.47
HTT P42858 3/20 0.45
HPGD P15428 2/20 0.45
NPC1 O15118 1/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TRPA1 O75762 1/20 0.42
PTGS1 P23219 1/20 0.42
CACNA1C Q13936 1/20 0.42
CNR1 P21554 2/20 0.41
CNR2 P34972 1/20 0.41
TYR P14679 2/20 0.37
ALDH1A1 P00352 2/20 0.36
ALOX12 P18054 2/20 0.36
GAA P10253 1/20 0.36
HIF1A Q16665 1/20 0.36
GCGR P47871 3/20 0.35
HSP90AA1 P07900 1/20 0.35

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
SCHEMBL9743490 0.88 NPC1 (0.62) GABRA1GABRB2HTTHPGDNPC1
SCHEMBL9744222 0.82 GABRA1 (0.50) GABRA1GABRB2HTTHPGDNPC1
SCHEMBL6832976 0.77 HTT (0.52) HTTHPGDNPC1MAPK1RAB9A
SCHEMBL1179405 0.75 HTT (0.68) HTTHPGDNPC1MAPK1RAB9A
SCHEMBL9743217 0.75 HTT (0.56) HTTHPGDNPC1MAPK1RAB9A
SCHEMBL5165516 0.74 TRPA1 (0.52) HTTHPGDTRPA1PTGS1CACNA1C
SCHEMBL9745054 0.73 NPC1 (0.59) HTTHPGDNPC1MAPK1RAB9A
SCHEMBL9744064 0.73 NPC1 (0.48) HTTHPGDNPC1MAPK1RAB9A
SCHEMBL9743215 0.73 HPGD (0.48) HTTHPGDNPC1MAPK1RAB9A
SCHEMBL6294990 0.72 GABRA1 (0.61) GABRA1GABRB2HTTTRPA1PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5087548-A POSITIVE TYPE RADIATION-SENSITIVE RESIN COMPOSITION JAPAN SYNTHETIC RUBBER CO., INC. (JP) 1992-02-11 US disclosed
EP-0227487-A2 Positive type radiation-sensitive resin composition JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1987-07-01 EP disclosed