SCHEMBL8865609

SCHEMBL8865609

CCCC(=O)Oc1ccc(C#Cc2cc3c(cc2C)OC(C)(C)CC3(C)C)nc1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.35
CYP3A4 P08684 1/20 0.35
RARA P10276 1/20 0.35
RARB P10826 1/20 0.35
RARG P13631 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 2/20 0.34
GLA P06280 1/20 0.34
BCL9 O00512 1/20 0.32
CTNNB1 P35222 1/20 0.32
HPGD P15428 1/20 0.32
CASP1 P29466 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ACACB O00763 2/20 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
SCHEMBL8864909 0.91 KMT2A (0.33) KMT2ACYP3A4RARARARBRARG
SCHEMBL8864961 0.87 PTGDR2 (0.33) KMT2ACYP3A4RARARARBRARG
SCHEMBL8865486 0.87 CYP3A4 (0.30) KMT2ACYP3A4RARARARBRARG
SCHEMBL8865740 0.86 CYP3A4 (0.43) KMT2ACYP3A4RARARARBRARG
SCHEMBL8865492 0.85 AKR1B1 (0.31) KMT2ACYP3A4RARARARBRARG
SCHEMBL8865822 0.83 AKR1B1 (0.30)
SCHEMBL8560124 0.82 RARA (0.52) KMT2ACYP3A4RARARARBRARG
SCHEMBL8865334 0.82 CYP3A4 (0.38) KMT2ACYP3A4RARARARBRARG
SCHEMBL8865618 0.81 CYP3A4 (0.39) KMT2ACYP3A4RARARARBRARG
SCHEMBL8663221 0.80 KMT2A (0.34) KMT2ACYP3A4RARARARBRARG

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
US-5677323-A SKIN DISORDERS, PSORIASIS ALLERGAN (US) 1997-10-14 US disclosed