SCHEMBL11800484

SCHEMBL11800484

C/C=C\C(C)(CCCCCC)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.40
GMNN O75496 1/20 0.40
USP2 O75604 1/20 0.40
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
APEX1 P27695 1/20 0.40
CYP2C19 P33261 1/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 1/20 0.40
CES2 O00748 1/20 0.39
ACLY P53396 1/20 0.39
GPR84 Q9NQS5 7/20 0.38
PPARG P37231 6/20 0.38
PPARD Q03181 6/20 0.38
PPARA Q07869 6/20 0.38
HDAC11 Q96DB2 5/20 0.38
TSHR P16473 4/20 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
SCHEMBL11807392 1.00 HSD17B10 (0.40) HSD17B10GMNNUSP2CYP1A2POLB
SCHEMBL11800506 1.00 HSD17B10 (0.40) HSD17B10GMNNUSP2CYP1A2POLB
SCHEMBL15442773 1.00 HSD17B10 (0.40) HSD17B10GMNNUSP2CYP1A2POLB
SCHEMBL15443241 0.98 HSD17B10 (0.38) HSD17B10GMNNUSP2CYP1A2POLB
SCHEMBL15442733 0.92 HSD17B10 (0.35) HSD17B10GMNNUSP2CYP1A2POLB
SCHEMBL15443397 0.84 ALDH1A1 (0.31) HSD17B10GMNNUSP2CYP1A2POLB
SCHEMBL3271498 0.83 HSD17B10 (0.41) HSD17B10GMNNUSP2CYP1A2POLB
SCHEMBL4633633 0.83 HSD17B10 (0.41) HSD17B10GMNNUSP2CYP1A2POLB
SCHEMBL3276878 0.81 HSD17B10 (0.39) HSD17B10GMNNUSP2CYP1A2POLB
SCHEMBL3625308 0.81 CES2 (0.41) HSD17B10CES2ACLYGPR84PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4000327-A BERRY FRUIT FOODSTUFFS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1976-12-28 US disclosed
US-3998873-A ORGANOLEPTICS, PERFUMES, AROMAS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1976-12-21 US disclosed
US-3931293-A Processes for producing cis alkyl-2-methyl-3-pentenoates and isomer mixtures containing high proportions of cis alkyl-2-methyl-3-pentenoates INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1976-01-06 US disclosed