SCHEMBL8865486

SCHEMBL8865486

CCCC(=O)Oc1cnc(C#Cc2cc3c(cc2C)OC(C)(C)CC3(C)C)cn1

nearest known ligand 0.30

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.30
RARA P10276 1/20 0.30
RARB P10826 1/20 0.30
RARG P13631 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL8865509 0.91
SCHEMBL8865438 0.89
SCHEMBL8865609 0.87 KMT2A (0.35) CYP3A4RARARARBRARGKMT2A
SCHEMBL8865931 0.87 PTGDR2 (0.31)
SCHEMBL8865492 0.86 AKR1B1 (0.31) CYP3A4RARARARBRARGKMT2A
SCHEMBL8865365 0.85 CYP3A4 (0.39) CYP3A4RARARARBRARGKMT2A
SCHEMBL8865029 0.84
SCHEMBL8865822 0.84 AKR1B1 (0.30)
SCHEMBL8865783 0.82 RARA (0.33) CYP3A4RARARARBRARGKMT2A
SCHEMBL8865494 0.81 CYP3A4 (0.34) CYP3A4RARARARBRARGKMT2A

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