SCHEMBL8387258

SCHEMBL8387258

C#CCCCOc1cccc(C(=O)OC)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.53
MAOA P21397 2/20 0.53
ALDH1A1 P00352 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
MRGPRX4 Q96LA9 1/20 0.49
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49
ABCB1 P08183 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.48
CYSLTR1 Q9Y271 1/20 0.48
SMPD1 P17405 2/20 0.48

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
SCHEMBL1339773 0.84 MRGPRX4 (0.52) MAOBMAOAALDH1A1CYP1A2CYP3A4
SCHEMBL30180651 0.84 MRGPRX4 (0.52) MAOBMAOAALDH1A1CYP1A2CYP3A4
SCHEMBL25911138 0.84 MAOB (0.51) MAOBMAOASMPD1
SCHEMBL2705591 0.83 PRSS1 (0.53) MAOB
SCHEMBL4324492 0.83 RAB9A (0.51) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL31536904 0.82 SMPD1 (0.63) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2087816 0.82 ALDH1A1 (0.56) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL72899 0.82 MRGPRX4 (0.57) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6811204 0.82 SMPD1 (0.63) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL27825460 0.82 CYP4F2 (0.60) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9

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-5932743-A Methods for the solid phase synthesis of substituted indole compounds AMERICAN HOME PRODUCTS CORPORATION (US) 1999-08-03 US disclosed
WO-1999009007-A1 SOLID PHASE SYNTHESIS OF 2,3-DISUBSTITUTED INDOLE COMPOUNDS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-02-25 WO disclosed