SCHEMBL9744222

SCHEMBL9744222

CCc1c(O)cc(C(C)C)cc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.50
GABRB2 P47870 1/20 0.50
TRPA1 O75762 1/20 0.45
PTGS1 P23219 1/20 0.45
CACNA1C Q13936 1/20 0.45
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
TYR P14679 3/20 0.39
ALOX12 P18054 3/20 0.39
HTT P42858 3/20 0.39
ALDH1A1 P00352 3/20 0.39
ALOX15 P16050 3/20 0.39
GAA P10253 2/20 0.39
HIF1A Q16665 1/20 0.39
HPGD P15428 3/20 0.36
RNASEH1 O60930 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MDM4 O15151 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL9745009 0.82 GABRA1 (0.47) GABRA1GABRB2TRPA1PTGS1CACNA1C
Diethylamine SCHEMBL16100003 0.80 GABRA1 (0.50) GABRA1GABRB2TRPA1PTGS1CACNA1C
SCHEMBL9743490 0.79 NPC1 (0.62) GABRA1GABRB2TRPA1PTGS1CACNA1C
SCHEMBL23847810 0.77 GABRA1 (0.36) GABRA1GABRB2TRPA1PTGS1CACNA1C
SCHEMBL6294990 0.76 GABRA1 (0.61) GABRA1GABRB2TRPA1PTGS1CACNA1C
SCHEMBL17027173 0.74 GABRA1 (0.44) GABRA1GABRB2TRPA1PTGS1CACNA1C
SCHEMBL544300 0.74 CYP3A4 (0.46) TRPA1PTGS1HSP90AB1TYRHTT
SCHEMBL6346880 0.74 GABRA1 (0.73) GABRA1GABRB2TRPA1PTGS1CACNA1C
SCHEMBL28217295 0.73 GABRA1 (0.46) GABRA1GABRB2HSP90AB1ALDH1A1CA1
SCHEMBL24213898 0.73 FABP3 (0.39) GABRA1GABRB2HSP90AA1HSP90AB1TYR

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