SCHEMBL9328617

SCHEMBL9328617

CC(C)OC(=O)c1cc(Cl)c(F)c(Cl)c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.42
CA1 P00915 6/20 0.42
CA2 P00918 6/20 0.42
CA7 P43166 6/20 0.42
CA9 Q16790 6/20 0.42
CA14 Q9ULX7 6/20 0.42
ALDH1A1 P00352 5/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KDM4E B2RXH2 4/20 0.36
HPGD P15428 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NPC1 O15118 1/20 0.36
PDK2 Q15119 1/20 0.35
MAPT P10636 2/20 0.35

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
SCHEMBL9328775 0.84 L3MBTL1 (0.39) ALDH1A1LMNAHPGDMAPTSMN1; SMN2
SCHEMBL9328510 0.81 GAA (0.47) CA12CA1CA2CA7CA9
SCHEMBL27691385 0.78 ITGB1 (0.35) ALDH1A1LMNAHPGDHSD17B10MAPT
SCHEMBL9330082 0.77 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL9328634 0.77 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL15927881 0.77 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL9328789 0.77 CYP4F2 (0.48) CA12CA1CA2CA7CA9
SCHEMBL9327846 0.77 CA12 (0.36) CA12CA1CA2CA9LMNA
SCHEMBL9247954 0.76 HPGD (0.56) CA12CA1CA2CA7CA9
SCHEMBL15927882 0.75 CA12 (0.53) CA12CA1CA2CA7CA9

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