SCHEMBL31497679

SCHEMBL31497679

CC(C)(C)c1cc(Cl)c(C(C)(C)C)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.45
CYP2C9 P11712 3/20 0.45
CYP2C19 P33261 2/20 0.45
TP53 P04637 2/20 0.45
HIF1A Q16665 1/20 0.45
ALDH1A1 P00352 4/20 0.43
ALOX15 P16050 4/20 0.43
CYP1A2 P05177 2/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ATP2A2 P16615 1/20 0.43
ATP2A3 Q93084 1/20 0.43
CA2 P00918 4/20 0.39
CA1 P00915 2/20 0.39
TYR P14679 2/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
CYP3A4 P08684 2/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL12733032 0.94 SMN1; SMN2 (0.42) SMN1; SMN2CYP2C9CYP2C19TP53HIF1A
SCHEMBL13911912 0.90 ALDH1A1 (0.41) SMN1; SMN2CYP2C9CYP2C19TP53HIF1A
SCHEMBL24910469 0.87 SMN1; SMN2 (0.45) SMN1; SMN2CYP2C9CYP2C19TP53HIF1A
SCHEMBL9074167 0.87 SMN1; SMN2 (0.42) SMN1; SMN2CYP2C9CYP2C19TP53HIF1A
SCHEMBL16736702 0.84 ALOX15 (0.71) SMN1; SMN2CYP2C9CYP2C19TP53HIF1A
SCHEMBL16448479 0.84 SMN1; SMN2 (0.37) SMN1; SMN2CYP2C9CYP2C19TP53HIF1A
SCHEMBL10938794 0.84 TSHR (0.52) SMN1; SMN2CYP2C9CYP2C19TP53HIF1A
SCHEMBL10236212 0.83 SMN1; SMN2 (0.39) SMN1; SMN2CYP2C9CYP2C19TP53HIF1A
SCHEMBL10279383 0.81 CD44 (0.42) SMN1; SMN2CYP2C9CYP2C19TP53HIF1A
SCHEMBL23811949 0.81 SMN1; SMN2 (0.38) SMN1; SMN2CYP2C9CYP2C19TP53HIF1A

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
WO-2025094673-A1 VINYL COMPOUND, VINYL COMPOSITION, VINYL RESIN CURED PRODUCT, PREPREG, FILM WITH RESIN, METAL FOIL WITH RESIN, METAL-CLAD LAMINATE, AND PRINTED WIRING BOARD 住友化学株式会社 2025-05-08 WO disclosed