SCHEMBL9636221

SCHEMBL9636221

C/C=C\OC(C)OC(=O)c1ccc(CC(c2ccc(C(=O)OC(C)O/C=C\C)cc2)c2ccc(C(=O)OC(C)O/C=C\C)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
PTGS1 P23219 4/20 0.37
PTGS2 P35354 4/20 0.37
CXCR1 P25024 3/20 0.37
CXCR2 P25025 3/20 0.37
LMNA P02545 2/20 0.37
CYP2C9 P11712 2/20 0.37
AKR1C3 P42330 2/20 0.37
ESR1 P03372 2/20 0.37
ADRB3 P13945 2/20 0.37
ALB P02768 1/20 0.37
ALOX5 P09917 1/20 0.37
RARB P10826 1/20 0.37
NFKB1 P19838 1/20 0.37
HTR2A P28223 1/20 0.37
NR1I3 Q14994 1/20 0.37
SLC22A6 Q4U2R8 1/20 0.37
CXCL8 P10145 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL9636227 0.76 ESR1 (0.40) CYP4F2CYP4A11PTGS1PTGS2CXCR1
SCHEMBL9635123 0.75 CA1 (0.39) CYP4F2CYP4A11LMNAPDCD1CD274
SCHEMBL9368892 0.68 PTGS2 (0.49) PTGS1PTGS2CXCR1CXCR2LMNA
SCHEMBL8793404 0.67 PTGS1 (0.61) PTGS1PTGS2CXCR1CXCR2LMNA
SCHEMBL6375298 0.67 TSHR (0.52) LMNAESR1TSHRPDCD1CD274
SCHEMBL9419435 0.66 ALDH1A1 (0.48) CYP4F2CYP4A11ESR1ADRB3TSHR
SCHEMBL20168314 0.66 CYP4F2 (0.63) CYP4F2CYP4A11PTGS1PTGS2CXCR1
SCHEMBL10804882 0.66 CYP4F2 (0.53) CYP4F2CYP4A11PTGS1PTGS2CXCR1
SCHEMBL10804886 0.66 CYP4F2 (0.53) CYP4F2CYP4A11PTGS1PTGS2CXCR1
SCHEMBL10804618 0.65 CYP4A11 (0.49) CYP4F2CYP4A11ESR1TSHRPDCD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5102966-A Addition polymerization of unsaturated ethers using an unsaturated alkenyl polyether adduct as initiator and a cation-donating compound SEKISUI CHEMICAL CO., LTD. (JP) 1992-04-07 US disclosed