SCHEMBL27387954

SCHEMBL27387954

CC(C)(S)c1cccc(Cl)c1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 1/20 0.38
▸ FABP4 P15090 9/20 0.37
▸ FABP3 P05413 8/20 0.37
▸ FABP5 Q01469 1/20 0.37
▸ KCNN4 O15554 1/20 0.36
▸ PTGS1 P23219 2/20 0.35
▸ PTGS2 P35354 2/20 0.35
▸ MAP2 P11137 1/20 0.33
▸ LMNA P02545 2/20 0.32
▸ TSHR P16473 1/20 0.32
▸ PDE4A P27815 1/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ PDE4C Q08493 1/20 0.32
▸ PDE4D Q08499 1/20 0.32
▸ PKM P14618 1/20 0.31
▸ HKDC1 Q2TB90 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HTT P42858 1/20 0.31

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
SCHEMBL21302089 0.78 KCNN4 (0.45) CYP2A6KCNN4PTGS2LMNATSHR
SCHEMBL28022302 0.77 FABP4 (0.46) CYP2A6FABP4FABP3FABP5PTGS2
SCHEMBL308199 0.75 CYP2A6 (0.55) CYP2A6FABP4FABP3FABP5PTGS1
SCHEMBL11788984 0.74 TSHR (0.39) CYP2A6KCNN4LMNATSHRCYP1A2
SCHEMBL20079605 0.71 CFD (0.33) CYP2A6KCNN4LMNATSHRCYP1A2
SCHEMBL28364118 0.70 CYP2A6 (0.44) CYP2A6FABP4FABP3FABP5PTGS1
SCHEMBL20108554 0.70 FABP4 (0.53) CYP2A6FABP4FABP3FABP5PTGS1
SCHEMBL23743471 0.67 ESR2 (0.44) FABP4FABP3FABP5
SCHEMBL4270859 0.67 CYP2A6 (0.65) CYP2A6FABP4FABP3FABP5PTGS1
SCHEMBL27715394 0.67 TSHR (0.56) CYP2A6FABP4FABP3FABP5MAP2

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-1066845-A The weedicide that is used for resistance crop DU PONT (US) 1992-12-09 — — CN disclosed
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