SCHEMBL9328809

SCHEMBL9328809

CCOC(=O)c1cc(Cl)c(Cl)c(Cl)c1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.51
CYP4A11 Q02928 1/20 0.51
BAZ2B Q9UIF8 1/20 0.51
BAZ2A Q9UIF9 1/20 0.51
TSHR P16473 1/20 0.50
CA1 P00915 5/20 0.47
CA2 P00918 5/20 0.47
CA12 O43570 4/20 0.47
CA9 Q16790 4/20 0.47
CA7 P43166 3/20 0.46
CA14 Q9ULX7 3/20 0.46
ALDH1A1 P00352 3/20 0.45
MAPT P10636 2/20 0.45
LMNA P02545 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPK1 P28482 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
METTL3 Q86U44 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
Ethyl Benzoate SCHEMBL2241358 0.87 TSHR (0.50) CYP4F2CYP4A11TSHRCA1CA2
SCHEMBL236240 0.84 CYP4F2 (0.57) CYP4F2CYP4A11BAZ2BBAZ2ATSHR
SCHEMBL27259744 0.81 CYP4F2 (0.55) CYP4F2CYP4A11BAZ2BBAZ2ATSHR
SCHEMBL11654638 0.81 CYP4F2 (0.48) CYP4F2CYP4A11BAZ2BBAZ2ATSHR
SCHEMBL9327906 0.81 SERPINE1 (0.36) CYP4F2CYP4A11BAZ2BBAZ2ATSHR
SCHEMBL10431608 0.80 CYP4F2 (0.50) CYP4F2CYP4A11BAZ2BBAZ2ATSHR
SCHEMBL7008919 0.80 MEN1 (0.44) CYP4F2CYP4A11BAZ2BBAZ2ATSHR
SCHEMBL4625705 0.79 CYP4F2 (0.53) CYP4F2CYP4A11BAZ2BBAZ2ATSHR
SCHEMBL29923060 0.79 CYP4F2 (0.53) CYP4F2CYP4A11BAZ2BBAZ2ATSHR
SCHEMBL6732086 0.79 CYP4F2 (0.53) CYP4F2CYP4A11BAZ2BBAZ2ATSHR

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
EP-0296479-B1 Fluorobenzoates and process for their production IHARA CHEMICAL IND CO (JP) 1994-03-30 EP disclosed
US-4916253-A Fluorobenzoates and process for their production IHARA CHEMICAL INDUSTRY COMPANY, LTD. (JP) 1990-04-10 US disclosed
EP-0296479-A2 Fluorobenzoates and process for their production IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 1988-12-28 EP disclosed