SCHEMBL11677277

SCHEMBL11677277

CCc1ccc(OC(CC)CN(CC)c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 1/20 0.43
▸ PPARA Q07869 1/20 0.43
▸ TSHR P16473 1/20 0.42
▸ CNR2 P34972 9/20 0.42
▸ CNR1 P21554 3/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ TP53 P04637 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NOX1 Q9Y5S8 1/20 0.35
▸ APAF1 O14727 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ CRHBP P24387 1/20 0.33
▸ CRHR2 Q13324 1/20 0.33

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
SCHEMBL11676077 0.90 TSHR (0.45) PPARGPPARATSHRCNR2CNR1
SCHEMBL11677239 0.90 TSHR (0.44) TSHRCNR2CNR1RAB9AMEN1
SCHEMBL11678793 0.87 MAPT (0.42) PPARGPPARATSHRCNR2RAB9A
SCHEMBL11677645 0.87 CNR2 (0.44) PPARGPPARATSHRCNR2CNR1
SCHEMBL11676284 0.87 TSHR (0.40) PPARGPPARATSHRCNR2CNR1
SCHEMBL11676210 0.86 PPARG (0.41) PPARGPPARATSHRCNR2CNR1
SCHEMBL11671437 0.81 RAB9A (0.46) PPARGPPARATSHRCNR2CNR1
SCHEMBL11677566 0.78 ALDH1A1 (0.39) TSHRCNR2MEN1KMT2A
SCHEMBL11676749 0.78 MAPT (0.43) TSHRTP53
SCHEMBL11677939 0.77 ADRA2A (0.48) TSHRCNR2RAB9AMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4051117-A Triazole-azo-phenyl cationic dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1977-09-27 — — US disclosed
US-4051084-A BENZOTHIAZOLE BAYER AKTIENGESELLSCHAFT (DT) 1977-09-27 — — US disclosed
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