SCHEMBL28680536

SCHEMBL28680536

CCCc1ccc(CO)cc1.c1cc2cc-2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LPL P06858 1/20 0.44
▸ LIPG Q9Y5X9 1/20 0.44
▸ MCL1 Q07820 1/20 0.44
▸ PRKCI P41743 1/20 0.43
▸ CNR1 P21554 1/20 0.42
▸ CNR2 P34972 1/20 0.42
▸ THRB P10828 2/20 0.40
▸ NLRP3 Q96P20 1/20 0.40
▸ TSHR P16473 1/20 0.39
▸ MKNK1 Q9BUB5 1/20 0.39
▸ MKNK2 Q9HBH9 1/20 0.39
▸ PLK1 P53350 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ ACVRL1 P37023 1/20 0.38
▸ ALOX5 P09917 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ GFER P55789 1/20 0.38
▸ MAOB P27338 1/20 0.38

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
SCHEMBL17472589 0.87 PRKCI (0.51) MCL1PRKCICNR1CNR2TSHR
SCHEMBL31452 0.85 LPL (0.56) LPLLIPGCNR1CNR2THRB
SCHEMBL27269728 0.84 ESR1 (0.56) LPLLIPGMCL1CNR1CNR2
SCHEMBL1967849 0.83 LPL (0.50) LPLLIPGMCL1CNR1CNR2
Ammonia Solution, Strong SCHEMBL9650054 0.83 LPL (0.54) LPLLIPGCNR1CNR2THRB
SCHEMBL5595170 0.82 MCL1 (0.53) MCL1NPC1MAPTRAB9AMAOB
SCHEMBL15238584 0.78 MCL1 (0.49) MCL1CNR1CNR2ALOX5NPC1
SCHEMBL19440607 0.77 MTNR1A (0.43) LPLLIPGCNR1CNR2NLRP3
SCHEMBL27559833 0.77 HSD17B1 (0.63) MCL1NLRP3
SCHEMBL6268248 0.77 ENPP2 (0.47) LPLLIPGPRKCICNR1CNR2

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-113929893-A Copolycarbonate with high refractive index and low birefringence 万华化学集团股份有限公司 2022-01-14 — — CN disclosed
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