SCHEMBL9522934

SCHEMBL9522934

COC(=O)c1cccc(C(C)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
LOXL2 Q9Y4K0 1/20 0.50
PTGS1 P23219 1/20 0.49
PTGS2 P35354 1/20 0.49
CYP4F2 P78329 2/20 0.49
CYP4A11 Q02928 2/20 0.49
RAB9A P51151 3/20 0.47
POLB P06746 1/20 0.47
SLC7A5 Q01650 1/20 0.47
ALDH1A1 P00352 1/20 0.46
CASR P41180 1/20 0.46
NPC1 O15118 2/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL9754322 0.92 POLB (0.49) TSHRLOXL2PTGS1PTGS2CYP4F2
SCHEMBL698948 0.91 TSHR (0.52) TSHRLOXL2PTGS1PTGS2CYP4F2
SCHEMBL84441 0.86 TSHR (0.53) TSHRLOXL2PTGS1PTGS2CYP4F2
SCHEMBL26453747 0.84 TSHR (0.52) TSHRLOXL2PTGS1PTGS2CYP4F2
SCHEMBL246026 0.84 TSHR (0.52) TSHRLOXL2PTGS1PTGS2CYP4F2
SCHEMBL10609523 0.84 TSHR (0.52) TSHRLOXL2PTGS1PTGS2CYP4F2
SCHEMBL26453761 0.84 TSHR (0.52) TSHRLOXL2PTGS1PTGS2CYP4F2
SCHEMBL15019977 0.83 TSHR (0.50) TSHRLOXL2PTGS1PTGS2CYP4F2
SCHEMBL19354304 0.83 TSHR (0.50) TSHRLOXL2PTGS1PTGS2CYP4F2
SCHEMBL14551931 0.83 LOXL2 (0.54) TSHRLOXL2PTGS1PTGS2CYP4F2

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
EP-0523067-A1 CROP-SELECTIVE HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-01-20 EP disclosed