SCHEMBL9302754

SCHEMBL9302754

CCCC(C(=O)O)c1ncc(C#Cc2cc3c(cc2C)OCCC3(C)C)cn1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.36
HNF4A P41235 1/20 0.36
RARA P10276 3/20 0.32
RARB P10826 3/20 0.32
RARG P13631 3/20 0.32
CYP26A1 O43174 1/20 0.31
CYP26B1 Q9NR63 1/20 0.31
RXRB P28702 2/20 0.31
RXRG P48443 2/20 0.31
CYP3A4 P08684 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
SCHEMBL9302770 0.91 RXRA (0.37) RXRAHNF4ARARARARBRARG
SCHEMBL9301727 0.86 RARB (0.39) RXRAHNF4ARARARARBRARG
SCHEMBL9303114 0.85 RXRA (0.33) RXRAHNF4ARARARARBRARG
SCHEMBL9302216 0.82 RARA (0.43) RXRARARARARBRARGCYP26A1
SCHEMBL6664727 0.82 CYP26A1 (0.40) RXRAHNF4ARARARARBRARG
SCHEMBL9139403 0.79 RXRA (0.36) RXRAHNF4ARARARARBRARG
SCHEMBL9301379 0.79 RXRA (0.40) RXRAHNF4ARARARARBRARG
SCHEMBL9301695 0.78 RXRA (0.34) RXRAHNF4ARARARARBRARG
SCHEMBL9817739 0.78 RXRA (0.38) RXRAHNF4ARARARARBRARG
SCHEMBL9303163 0.78 RARB (0.43) RXRAHNF4ARARARARBRARG

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-5354752-A A dimethylthiochroman or dimethylchroman-6-yl-ethynyl-pyridazin- or pyrimidin- or pyrazin-for treating skin disorders psoriasis ALLERGAN, INC. (US) 1994-10-11 US claimed