SCHEMBL7258457

SCHEMBL7258457

COc1ccc2c(c1)C1OC1C(C)(C)O2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2B P41595 2/20 0.41
▸ SIGMAR1 Q99720 2/20 0.41
▸ HTR1A P08908 1/20 0.41
▸ HTR7 P34969 1/20 0.40
▸ TMEM97 Q5BJF2 1/20 0.40
▸ MAPT P10636 5/20 0.40
▸ TSHR P16473 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HTR2A P28223 2/20 0.39
▸ HTR2C P28335 2/20 0.39
▸ PPIB P23284 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ GAA P10253 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ABCB1 P08183 3/20 0.36
▸ AR P10275 1/20 0.36
▸ ABCG2 Q9UNQ0 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
SCHEMBL482197 0.83 ABCC9 (0.50) SMN1; SMN2GAATDP1HTT
SCHEMBL482195 0.83 ABCC9 (0.50) SMN1; SMN2GAATDP1HTT
SCHEMBL4773615 0.83 ABCC9 (0.50) SMN1; SMN2GAATDP1HTT
SCHEMBL7870442 0.82 KCNE1 (0.36) —
SCHEMBL6931951 0.81 KCNE1 (0.54) SIGMAR1MAPTTSHRALDH1A1MEN1
SCHEMBL9876498 0.81 KCNE1 (0.39) MAPTTSHRSMN1; SMN2ALDH1A1MEN1
SCHEMBL6935375 0.79 KCNE1 (0.57) HTR2BSIGMAR1TMEM97SMN1; SMN2ALDH1A1
SCHEMBL5868353 0.79 IDO1 (0.40) HTR2BSIGMAR1HTR1AMAPTHTR2C
SCHEMBL5868357 0.79 IDO1 (0.40) HTR2BSIGMAR1HTR1AMAPTHTR2C
SCHEMBL6274078 0.79 IDO1 (0.40) HTR2BSIGMAR1HTR1AMAPTHTR2C

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-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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