SCHEMBL9575429

SCHEMBL9575429

C=C(F)C(=O)Oc1c(Cl)c(C)cc(C)c1Cl

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
HIF1A Q16665 1/20 0.37
MCL1 Q07820 1/20 0.37
TSHR P16473 2/20 0.34
CYP3A4 P08684 1/20 0.33
CHRM1 P11229 1/20 0.33
ALOX15 P16050 1/20 0.33
MAOA P21397 1/20 0.33
TBXA2R P21731 1/20 0.33
ADRA1A P35348 1/20 0.33
HTR2B P41595 1/20 0.33
ABCB1 P08183 1/20 0.33
POLB P06746 1/20 0.33
OGG1 O15527 1/20 0.32
HPGD P15428 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL9575524 0.81 HPGD (0.33) TSHRCYP3A4HPGD
SCHEMBL9576609 0.81
SCHEMBL9575193 0.81
SCHEMBL9578925 0.81 CYP1A2 (0.33) CYP1A2CYP2C9HIF1A
SCHEMBL9656607 0.79 KDM4E (0.37) CYP1A2TSHRCYP3A4POLB
SCHEMBL9575172 0.78 KDM4E (0.33) POLB
SCHEMBL9575203 0.72
SCHEMBL9575635 0.72 TPMT (0.35) TSHR
SCHEMBL9575374 0.72 CA1 (0.38)
SCHEMBL9575277 0.71

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-5266668-A Substituted phenyl α-fluoroacrylates HOECHST AKTIENGESELLSCHAFT (DE) 1993-11-30 US disclosed
EP-0249867-B1 SUBSTITUTED PHENYL ESTERS OF ALPHA-FLUOROACRYLIC ACID HOECHST AKTIENGESELLSCHAFT (DE) 1992-01-02 EP disclosed
EP-0249867-A2 Substituted phenyl esters of alpha-fluoroacrylic acid HOECHST AKTIENGESELLSCHAFT (DE) 1987-12-23 EP disclosed