SCHEMBL6593885

SCHEMBL6593885

CCOC(=O)c1ccc(C#Cc2ccc3c(c2)C(c2ccc(C)cc2)=CC(C)(C)S3)nc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 6/20 0.57
RARB P10826 6/20 0.57
RARG P13631 6/20 0.57
CYP3A4 P08684 2/20 0.57
KMT2A Q03164 2/20 0.57
CYP26A1 O43174 1/20 0.42
ACACB O00763 1/20 0.35
PABPC1 P11940 2/20 0.35
APOBEC3A P31941 2/20 0.35
EIF4H Q15056 2/20 0.35
APOBEC3G Q9HC16 2/20 0.35
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
MAOB P27338 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL6591838 0.94 RARA (0.56) RARARARBRARGCYP3A4KMT2A
SCHEMBL6588111 0.89 RARA (0.48) RARARARBRARGCYP3A4KMT2A
SCHEMBL6590791 0.88 RARA (0.53) RARARARBRARGCYP3A4KMT2A
SCHEMBL6596743 0.84 CYP3A4 (0.49) RARARARBRARGCYP3A4KMT2A
SCHEMBL6588514 0.83 RARA (0.45) RARARARBRARGCYP3A4KMT2A
SCHEMBL1140748 0.83 RARA (0.48) RARARARBRARGCYP3A4KMT2A
SCHEMBL6590257 0.82 RARA (0.43) RARARARBRARGCYP3A4KMT2A
SCHEMBL6594047 0.81 RARA (0.42) RARARARBRARGCYP3A4KMT2A
SCHEMBL6592559 0.80 RARA (0.46) RARARARBRARGCYP3A4KMT2A
SCHEMBL6596136 0.80 RARB (0.46) RARARARBRARGCYP3A4KMT2A

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