SCHEMBL6596136

SCHEMBL6596136

CCOC(=O)c1ccc(C#Cc2ccc3c(c2)C(c2ccc(C(C)(C)C)cc2)=CC(C)(C)S3)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RARB P10826 12/20 0.46
RARG P13631 11/20 0.46
RARA P10276 10/20 0.46
CYP3A4 P08684 1/20 0.40
KMT2A Q03164 1/20 0.40
THRB P10828 2/20 0.39
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.36
PABPC1 P11940 1/20 0.35
APOBEC3A P31941 1/20 0.35
EIF4H Q15056 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
PDK2 Q15119 1/20 0.35
POLB P06746 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PRF1 P14222 1/20 0.34
MMP13 P45452 1/20 0.34

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
SCHEMBL6588111 0.91 RARA (0.48) RARBRARGRARACYP3A4KMT2A
SCHEMBL1140748 0.90 RARA (0.48) RARBRARGRARACYP3A4KMT2A
SCHEMBL6590257 0.89 RARA (0.43) RARBRARGRARACYP3A4KMT2A
SCHEMBL6592559 0.87 RARA (0.46) RARBRARGRARACYP3A4KMT2A
SCHEMBL6594145 0.86 RARB (0.60) RARBRARGRARACYP3A4
SCHEMBL6588514 0.84 RARA (0.45) RARBRARGRARACYP3A4KMT2A
SCHEMBL6590554 0.84 RARA (0.39) RARBRARGRARACYP3A4KMT2A
SCHEMBL6590745 0.81 RARA (0.40) RARBRARGRARACYP3A4KMT2A
SCHEMBL6592790 0.81 RARB (0.46) RARBRARGRARACYP3A4KMT2A
SCHEMBL6591846 0.81 RARA (0.48) RARBRARGRARACYP3A4KMT2A

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 3 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
WO-1999033821-A1 BENZOPYRAN AND BENZOTHIOPYRAN DERIVATIVES HAVING RETINOID ANTAGONIST-LIKE ACTIVITY ALLERGAN SALES, INC. (US) 1999-07-08 WO disclosed