SCHEMBL8864909

SCHEMBL8864909

CCCC(=O)Oc1ccc(C#Cc2cc3c(cc2CC)OC(C)(C)CC3(C)C)nc1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.33
CYP3A4 P08684 1/20 0.33
RARA P10276 1/20 0.33
RARB P10826 1/20 0.33
RARG P13631 1/20 0.33
BCL9 O00512 1/20 0.32
CTNNB1 P35222 1/20 0.32
ACACB O00763 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 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
SCHEMBL8864961 0.92 PTGDR2 (0.33) KMT2ACYP3A4RARARARBRARG
SCHEMBL8865609 0.91 KMT2A (0.35) KMT2ACYP3A4RARARARBRARG
SCHEMBL8865509 0.87
SCHEMBL8865740 0.86 CYP3A4 (0.43) KMT2ACYP3A4RARARARBRARG
SCHEMBL8865678 0.85 AKR1B1 (0.31)
SCHEMBL8865558 0.83 AKR1B1 (0.30)
SCHEMBL8865958 0.81 RARA (0.51) KMT2ACYP3A4RARARARBRARG
SCHEMBL8865217 0.81 CYP3A4 (0.37) KMT2ACYP3A4RARARARBRARG
SCHEMBL8864919 0.81 CYP3A4 (0.38) KMT2ACYP3A4RARARARBRARG
SCHEMBL8874982 0.80 CYP26A1 (0.40) 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