SCHEMBL28067322

SCHEMBL28067322

COc1[c]cccc1-c1cccc(C(F)(F)F)c1OC

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.34
CTSA P10619 1/20 0.34
HSD11B1 P28845 4/20 0.33
SCN9A Q15858 1/20 0.32
AR P10275 2/20 0.32
PDE7A Q13946 1/20 0.31
PDE3A Q14432 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TRPA1 O75762 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
NOTUM Q6P988 1/20 0.31
PIM1 P11309 1/20 0.30
PIM2 Q9P1W9 1/20 0.30
CES1 P23141 1/20 0.30
F2RL3 Q96RI0 1/20 0.30
PGR P06401 1/20 0.30

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
SCHEMBL162258 0.80 KMT2A (0.33) RAB9A
SCHEMBL5637225 0.78 HSD11B1 (0.39) CTSSHSD11B1
SCHEMBL16829403 0.74 CTSS (0.44) CTSSHSD11B1ARSMN1; SMN2PGR
SCHEMBL17514495 0.72 AKR1C3 (0.43) SMN1; SMN2NPSR1F2RL3
SCHEMBL3645412 0.71 CTSA (0.33) CTSAHSD11B1RAB9ASMN1; SMN2
SCHEMBL2086754 0.70 RAB9A (0.36) RAB9ASMN1; SMN2F2RL3
SCHEMBL3289120 0.70 HSD11B1 (0.41) HSD11B1SCN9AARTRPA1TRPM8
SCHEMBL15637317 0.69 RPS6KA2 (0.35) F2RL3
SCHEMBL8125843 0.69 KMT2A (0.40) ARRAB9ASMN1; SMN2PGR
SCHEMBL2782878 0.69 CTSA (0.44) CTSAHSD11B1SCN9ARAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103153999-B Compounds as cannabinoid receptor-1 inhibitors AMOREPACIFIC CORP. (KR) 2016-06-01 CN disclosed