SCHEMBL31442504

SCHEMBL31442504

O=[N+]([O-])c1cc(OCc2ccccc2)c(Cl)cc1F

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGES O14684 3/20 0.54
PIN1 Q13526 2/20 0.49
CTSV O60911 2/20 0.48
CTSL P07711 2/20 0.48
POLB P06746 1/20 0.48
CYP19A1 P11511 4/20 0.45
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ATM Q13315 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.42
AR P10275 1/20 0.42

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
SCHEMBL810879 1.00 PTGES (0.54) PTGESPIN1CTSVCTSLPOLB
SCHEMBL3351980 0.95 PTGES (0.54) PTGESPIN1CTSVCTSLPOLB
SCHEMBL810439 0.87 PTGES (0.57) PTGESPIN1CTSVCTSLPOLB
SCHEMBL2568216 0.87 PIN1 (0.52) PIN1CTSVCTSLPOLBCYP19A1
SCHEMBL30699715 0.87 PTGES (0.57) PTGESPIN1CTSVCTSLPOLB
SCHEMBL29894219 0.85 POLB (0.54) PIN1CTSVCTSLPOLBCYP19A1
SCHEMBL18863826 0.85 POLB (0.54) PIN1CTSVCTSLPOLBCYP19A1
SCHEMBL1137268 0.85 PTGES (0.57) PTGESPIN1CTSVCTSLPOLB
SCHEMBL13308320 0.84 PIN1 (0.49) PIN1CTSVCTSLPOLBCYP19A1
SCHEMBL2049375 0.84 PTGES (0.54) PTGESPIN1CTSVCTSLPOLB

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
CN-119613398-A Tetra-substituted phenyl ether (thioether) compound containing alkoxy acetate substituent and application thereof 江西天宇化工有限公司 2025-03-14 CN disclosed