SCHEMBL181635

SCHEMBL181635

CC1(C)CCSc2ccc(C#CC(O)c3cccnc3)cc21

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.52
CYP26A1 O43174 2/20 0.52
RARA P10276 11/20 0.49
RARB P10826 11/20 0.49
RARG P13631 11/20 0.49
KMT2A Q03164 1/20 0.46
RXRA P19793 2/20 0.35
GAA P10253 1/20 0.33
GPR84 Q9NQS5 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TSHR P16473 2/20 0.32
MAPT P10636 2/20 0.32
HSD17B10 Q99714 2/20 0.32
CYP19A1 P11511 1/20 0.32
CRABP2 P29373 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 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
SCHEMBL7713109 0.80 CYP3A4 (0.66) CYP3A4CYP26A1RARARARBRARG
SCHEMBL8499335 0.76 RARA (0.57) CYP3A4CYP26A1RARARARBRARG
SCHEMBL19034088 0.76 RARB (0.62) CYP3A4CYP26A1RARARARBRARG
SCHEMBL8681446 0.75 RARB (0.57) CYP3A4CYP26A1RARARARBRARG
SCHEMBL7709227 0.74 CYP3A4 (0.59) CYP3A4CYP26A1RARARARBRARG
SCHEMBL7713266 0.73 RARA (0.51) CYP3A4CYP26A1RARARARBRARG
SCHEMBL16913398 0.73 RARB (0.56) CYP3A4CYP26A1RARARARBRARG
SCHEMBL8765958 0.72 CYP3A4 (0.68) CYP3A4CYP26A1RARARARBRARG
SCHEMBL7715088 0.72 RARA (0.56) CYP3A4CYP26A1RARARARBRARG
SCHEMBL4373673 0.71 RARB (0.58) CYP3A4CYP26A1RARARARBRARG

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2400951-A1 TOPICAL FOAM COMPOSITION Stiefel Research Australia Pty Ltd (AU) 2012-01-04 EP disclosed
WO-2010096868-A1 TOPICAL FOAM COMPOSITION STIEFEL RESEARCH AUSTRALIA PTY LTD (AU) 2010-09-02 WO disclosed