SCHEMBL27981344

SCHEMBL27981344

C=Cc1c(C)c2ccc(O)cc2oc1=O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B3 P37058 7/20 0.69
▸ ESR1 P03372 4/20 0.56
▸ ESR2 Q92731 4/20 0.56
▸ ERAP1 Q9NZ08 2/20 0.56
▸ NPSR1 Q6W5P4 2/20 0.54
▸ RXFP1 Q9HBX9 1/20 0.54
▸ PDE2A O00408 1/20 0.53
▸ CA2 P00918 1/20 0.52
▸ KDM4E B2RXH2 4/20 0.52
▸ GLA P06280 4/20 0.52
▸ GAA P10253 4/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ HPGD P15428 3/20 0.52
▸ CASP1 P29466 3/20 0.52
▸ CASP7 P55210 3/20 0.52
▸ HSD17B10 Q99714 3/20 0.52
▸ TSHR P16473 1/20 0.52
▸ NPC1 O15118 1/20 0.51
▸ CCR4 P51679 1/20 0.51
▸ CA12 O43570 1/20 0.50

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
SCHEMBL28383872 0.88 HSD17B3 (0.73) HSD17B3ESR1ESR2ERAP1NPSR1
SCHEMBL591899 0.82 HSD17B3 (1.00) HSD17B3ESR1ESR2ERAP1NPSR1
SCHEMBL31366988 0.82 HSD17B3 (1.00) HSD17B3ESR1ESR2ERAP1NPSR1
SCHEMBL28446883 0.80 HSD17B3 (0.96) HSD17B3ESR1ESR2ERAP1NPSR1
SCHEMBL1459404 0.80 HSD17B3 (0.61) HSD17B3ESR1ESR2ERAP1NPSR1
SCHEMBL21457084 0.79 CCR4 (0.53) HSD17B3NPSR1KDM4EGLAGAA
SCHEMBL5957207 0.79 HSD17B3 (0.79) HSD17B3ESR1ESR2ERAP1NPSR1
SCHEMBL6699571 0.78 HSD17B3 (0.67) HSD17B3ESR1ESR2ERAP1NPSR1
SCHEMBL29001391 0.78 MAOB (0.42) HSD17B3KDM4EGLAGAAALDH1A1
SCHEMBL30338389 0.78 MAOB (0.42) HSD17B3KDM4EGLAGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107847422-A Include the acrylic acid of palkoxy benzene base substitution(APP)The stable composition of the light of copolymer derivative 浩思特创新科技公司 2018-03-27 — — CN disclosed
CN-107406622-A Photostable compositions comprising p-alkoxyphenyl substituted acrylic acid (APP) derivatives 浩思特创新科技公司 2017-11-28 — — CN disclosed
CN-104718273-A Compositions, apparatus, systems, and methods for resolving electronic excited states HALLSTAR INNOVATIONS CORP 2015-06-17 — — CN disclosed
CN-102076382-B Sunscreen formula vanishing cream UNILEVER NV 2015-04-01 — — CN disclosed
CN-102481246-B Cosmetic composition comprising nicotinamide with function of improving skin performance UNILEVER NV 2015-02-04 — — CN disclosed
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