SCHEMBL10526432

SCHEMBL10526432

CC(C)(C(=O)O)C(O)CCCO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.38
ACACA Q13085 1/20 0.38
PTGS1 P23219 1/20 0.35
KCNH2 Q12809 1/20 0.35
PTPN1 P18031 1/20 0.33
CAMK2A Q9UQM7 1/20 0.32
PPARA Q07869 1/20 0.32
GPR84 Q9NQS5 5/20 0.31
CHRM1 P11229 2/20 0.31
ADRA1A P35348 2/20 0.31
HMGCR P04035 1/20 0.31
TBXA2R P21731 1/20 0.31
TSHR P16473 2/20 0.31
ALDH1A1 P00352 1/20 0.31
CA2 P00918 1/20 0.30
MAPK1 P28482 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
HIF1A Q16665 1/20 0.30
AKR1A1 P14550 1/20 0.30

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
SCHEMBL1114729 0.79 GPR84 (0.55) ACACBACACAGPR84CA2FFAR1
SCHEMBL10583434 0.77 CHRM1 (0.42) ACACBACACAGPR84CHRM1ADRA1A
SCHEMBL5464437 0.77 OR51E2 (0.38) ACACBACACACHRM1ADRA1AHMGCR
SCHEMBL10525793 0.75 ACACB (0.32) ACACBACACAPTGS1KCNH2PTPN1
SCHEMBL6856895 0.75 CA2 (0.36) ACACBACACAPTGS1KCNH2CAMK2A
SCHEMBL8405117 0.75 CYP4F2 (0.50) PTGS1KCNH2PPARATSHRALDH1A1
SCHEMBL27489612 0.74 TSHR (0.46) PTGS1KCNH2TSHRALDH1A1
SCHEMBL29015075 0.72 RIPK1 (0.54) KCNH2PPARAHTR2AHRH1DRD3
SCHEMBL8662904 0.72 PTGS1 (0.32) ACACBACACAPTGS1KCNH2CHRM1
SCHEMBL3646440 0.72 TSHR (0.50) ACACBACACACHRM1ADRA1AHMGCR

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
CN-115956223-A Colored resin composition, color filter and image display device 三菱化学株式会社 2023-04-11 CN disclosed
EP-0307405-A1 AQUEOUS ELECTROPHORETIC ENAMELLING BATHS FOR CATHODIC ELECTROPHORETIC ENAMELLING, AND PROCESS FOR THEIR PRODUCTION BASF Lacke + Farben AG (DE) 1989-03-22 EP disclosed
WO-1987007288-A1 AQUEOUS ELECTROPHORETIC ENAMELLING BATHS FOR CATHODIC ELECTROPHORETIC ENAMELLING, AND PROCESS FOR THEIR PRODUCTION BASF LACKE + FARBEN AKTIENGESELLSCHAFT (DE) 1987-12-03 WO disclosed