SCHEMBL6641316

SCHEMBL6641316

CC1(C)C=C(C(=O)O)CCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OAT P04181 1/20 0.37
▸ MCL1 Q07820 1/20 0.36
▸ GRIK1 P39086 2/20 0.33
▸ GRIK2 Q13002 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ SRD5A1 P18405 3/20 0.31
▸ SRD5A2 P31213 3/20 0.31
▸ GABRP O00591 1/20 0.31
▸ GABRD O14764 1/20 0.31
▸ GABRA1 P14867 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ GABRB1 P18505 1/20 0.31
▸ GABRG2 P18507 1/20 0.31
▸ GABRR1 P24046 1/20 0.31
▸ GABRB3 P28472 1/20 0.31
▸ GABRA5 P31644 1/20 0.31
▸ GABRA3 P34903 1/20 0.31
▸ GABRA2 P47869 1/20 0.31
▸ GABRB2 P47870 1/20 0.31
▸ GABRA4 P48169 1/20 0.31

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
SCHEMBL11005542 0.87 SRD5A2 (0.35) OATSRD5A1SRD5A2GABRPGABRD
SCHEMBL11372909 0.85 ALDH1A1 (0.31) MCL1GRIK1GRIK2CYP1A2ALDH1A1
SCHEMBL442745 0.83 ALDH1A1 (0.33) ALDH1A1TDP1
SCHEMBL27325175 0.80 OAT (0.35) OATMCL1CYP1A2SRD5A1SRD5A2
SCHEMBL14879777 0.77 AKT1 (0.31) ALDH1A1TDP1
SCHEMBL16010907 0.76 CYP1A2 (0.32) CYP1A2
SCHEMBL14879756 0.76 — —
SCHEMBL16010905 0.76 CYP1A2 (0.32) CYP1A2
SCHEMBL11519504 0.76 HSD17B3 (0.34) GABRA1TSHRGABRB2LMNAALDH1A1
SCHEMBL14879757 0.76 — —

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
EP-1420783-A1 STABLE EMULSION COMPOSITION Takeda Chemical Industries, Ltd. (JP) 2004-05-26 — — EP disclosed
WO-2003013513-A1 STABLE EMULSION COMPOSITION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-02-20 — — WO disclosed
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