SCHEMBL28182371

SCHEMBL28182371

Cc1cc(CC2CCCCC2)cc(C)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.42
▸ MAOB P27338 1/20 0.42
▸ CISD1 Q9NZ45 1/20 0.42
▸ ACHE P22303 1/20 0.40
▸ CYP2C9 P11712 3/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ PTGS1 P23219 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ PTPN1 P18031 2/20 0.37
▸ SHBG P04278 1/20 0.36
▸ BCL2 P10415 1/20 0.36
▸ BCL2L1 Q07817 1/20 0.36
▸ MCL1 Q07820 1/20 0.36
▸ BCL2A1 Q16548 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ GAA P10253 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
SCHEMBL27451487 0.83 MAOA (0.41) MAOAMAOBCISD1ACHECYP2C9
SCHEMBL27720997 0.80 ESR1 (0.53) GAAESR1ESR2OPRK1
SCHEMBL11790878 0.79 MAOA (0.45) MAOAMAOBCISD1ACHECYP2C9
SCHEMBL17748780 0.78 NPC1 (0.40) PTPN1DAO
SCHEMBL9441932 0.78 PTPN1 (0.46) PTPN1DAO
SCHEMBL16191256 0.77 KCNH2 (0.42) OPRK1DAO
SCHEMBL10356888 0.77 CYP1A2 (0.42) CYP2C9CYP2C19CYP2D6CYP1A2BCL2
SCHEMBL11675641 0.75 ACHE (0.42) ACHEPTPN1OPRK1
SCHEMBL17281697 0.75 ACHE (0.36) MAOAMAOBCISD1ACHECYP2C9
SCHEMBL17748785 0.74 CEL (0.41) OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101326215-A Poly (arylene ether) copolymer GEN ELECTRIC (US) 2008-12-17 — — CN claimed
CN-101305030-A Polyfunctional poly(arylene ether) method GEN ELECTRIC (US) 2008-11-12 — — CN claimed
CN-105452318-B Rigid foam and correlated product 沙特基础全球技术有限公司 2017-11-28 — — CN disclosed
CN-105531323-A Composition and article comprising thermoplastic polyurethane and particulate engineering polymer SABIC INNOVATIVE PLASTICS IP BV 2016-04-27 — — CN disclosed
CN-105473656-A Poly(phenylene ether) /epoxy homogeneous solid and powder coating composition incorporating same SABIC INNOVATIVE PLASTICS IP BV 2016-04-06 — — CN disclosed
CN-105452318-A Rigid foam and associated article SABIC INNOVATIVE PLASTICS IP BV 2016-03-30 — — CN disclosed
CN-101326215-A Poly (arylene ether) copolymer GEN ELECTRIC (US) 2008-12-17 — — CN disclosed
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