SCHEMBL6594574

SCHEMBL6594574

C[Si](C)(C)C#CSc1ccc2c(c1)C(=O)CCO2

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 13/20 0.39
MAOA P21397 1/20 0.39
GRM5 P41594 6/20 0.37
MET P08581 2/20 0.33
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
NFKB1 P19838 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
RRM1 P23921 1/20 0.32
RRM2B Q7LG56 1/20 0.32
GPR119 Q8TDV5 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
SCHEMBL6591192 0.81 MAOB (0.44) MAOBMAOAGRM5METNPC1
SCHEMBL10363956 0.80 MAOB (0.43) MAOBMAOAGRM5METNPC1
SCHEMBL56658 0.78 MAOB (0.46) MAOBMAOAGRM5METNPC1
SCHEMBL1140885 0.76 MAPT (0.53) MAOBNPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL6596693 0.76 GRM5 (0.52) MAOBMAOAGRM5
SCHEMBL1985123 0.75 MAOB (0.46) MAOBMAOAGRM5METNPC1
SCHEMBL1985752 0.75 MAOB (0.46) MAOBMAOAGRM5METNPC1
SCHEMBL2074306 0.75 MAOB (0.46) MAOBMAOAGRM5METNPC1
SCHEMBL6592049 0.75 MAOB (0.50) MAOBMAOAGRM5METNPC1
SCHEMBL10720650 0.75 MAOB (0.46) MAOBMAOAGRM5METNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1042313-B1 BENZOPYRAN AND BENZOTHIOPYRAN DERIVATIVES HAVING RETINOID ANTAGONIST LIKE ACTIVITY ALLERGAN INC (US) 2004-04-28 EP disclosed
EP-1042313-A1 BENZOPYRAN AND BENZOTHIOPYRAN DERIVATIVES HAVING RETINOID ANTAGONIST LIKE ACTIVITY Allergan Sales, Inc. (US) 2000-10-11 EP disclosed
US-5958954-A 2,2-DIALKYL-4-ARYL-SUBSTITUTED BENZOPYRAN AND BENZOTHIOPYRAN DERIVATIVES ALLERGAN SALES, INC. (US) 1999-09-28 US disclosed
WO-1999033821-A1 BENZOPYRAN AND BENZOTHIOPYRAN DERIVATIVES HAVING RETINOID ANTAGONIST-LIKE ACTIVITY ALLERGAN SALES, INC. (US) 1999-07-08 WO disclosed