SCHEMBL20122006

SCHEMBL20122006

Cc1ccc(C2(c3ccc4c(c3)C(C)(C)CCC4(C)C)OCCO2)cc1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RXRA P19793 15/20 0.68
RXRB P28702 9/20 0.68
CYP26A1 O43174 6/20 0.68
CYP26B1 Q9NR63 5/20 0.68
CYP3A4 P08684 1/20 0.61
RXRG P48443 7/20 0.51
RARB P10826 4/20 0.39
RARG P13631 3/20 0.39
RARA P10276 3/20 0.37
PPARG P37231 1/20 0.36

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
SCHEMBL17911588 0.86 RXRA (0.67) RXRARXRBCYP26A1CYP26B1CYP3A4
SCHEMBL13368672 0.82 CYP26A1 (0.70) RXRARXRBCYP26A1CYP26B1CYP3A4
SCHEMBL30218800 0.81 RXRA (1.00) RXRARXRBCYP26A1CYP26B1CYP3A4
SCHEMBL2807932 0.81 RXRA (1.00) RXRARXRBCYP26A1CYP26B1CYP3A4
Ammonia Solution, Strong SCHEMBL8706692 0.80 RXRA (0.97) RXRARXRBCYP26A1CYP26B1CYP3A4
Ammonia Solution, Strong SCHEMBL8706695 0.80 RXRA (0.97) RXRARXRBCYP26A1CYP26B1CYP3A4
SCHEMBL15908233 0.79 MAOB (0.40) RXRARXRBCYP26A1CYP26B1CYP3A4
SCHEMBL8608030 0.78 RXRA (0.75) RXRARXRBCYP26A1CYP26B1CYP3A4
SCHEMBL30011660 0.76 RXRA (1.00) RXRARXRBCYP26A1CYP26B1CYP3A4
SCHEMBL7463646 0.76 RXRA (1.00) RXRARXRBCYP26A1CYP26B1CYP3A4

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-3044216-B1 NOVEL AND SPECIFIC INHIBITORS OF CYTOCHROME P450 26 RETINOIC ACID HYDROXYLASE UNIV WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2022-02-23 EP disclosed
US-9963439-B2 Specific inhibitors of cytochrome P450 26 retinoic acid hydroxylase UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2018-05-08 US disclosed