SCHEMBL7254190

SCHEMBL7254190

COc1ccc(CCNC2c3ccccc3OC(C)(C)C2O)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 4/20 0.43
▸ KMT2A Q03164 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ KCNA5 P22460 3/20 0.42
▸ SMPD1 P17405 1/20 0.42
▸ MEN1 O00255 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.40
▸ FPR2 P25090 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL7257087 0.88 MEN1 (0.48) KMT2AKCNA5MEN1ALDH1A1MAPT
SCHEMBL7253762 0.88 ABCB1 (0.53) ABCB1KCNA5SMN1; SMN2
SCHEMBL7258463 0.87 ABCB1 (0.45) ABCB1KCNA5SMN1; SMN2
SCHEMBL7256886 0.82 ABCB1 (0.38) ABCB1KCNA5ALDH1A1MAPTHTT
Hydrochloric Acid SCHEMBL7256908 0.81 ABCB1 (0.38) ABCB1KCNA5ALDH1A1MAPTHTT
SCHEMBL7253485 0.80 ABCB1 (0.50) ABCB1KMT2AKCNA5MEN1ALDH1A1
Hydrochloric Acid SCHEMBL7256857 0.79 KCNA5 (0.44) ABCB1KCNA5FPR2SMN1; SMN2
SCHEMBL7258468 0.79 ABCB1 (0.47) ABCB1KCNA5TAAR1
SCHEMBL7258474 0.79 ABCB1 (0.47) ABCB1KCNA5
Hydrochloric Acid SCHEMBL7253190 0.78 ABCB1 (0.47) ABCB1KCNA5

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
WO-2003014113-A1 NOVEL BENZOPYRAN COMPOUNDS AND PROCESS FOR THEIR PREPARATION AND USE GLENMARK PHARMACEUTICALS LIMITED (IN) 2003-02-20 — — WO claimed
WO-2003014113-A1 NOVEL BENZOPYRAN COMPOUNDS AND PROCESS FOR THEIR PREPARATION AND USE GLENMARK PHARMACEUTICALS LIMITED (IN) 2003-02-20 — — WO disclosed
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