SCHEMBL7730607

SCHEMBL7730607

CC1(C)CCC(O)(C(C)(C)C)c2cc(Br)ccc21

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRA P19793 13/20 0.38
RXRB P28702 10/20 0.38
RARB P10826 7/20 0.36
RARG P13631 7/20 0.36
RXRG P48443 6/20 0.36
RARA P10276 5/20 0.34
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
CYP26A1 O43174 2/20 0.33
PDK2 Q15119 1/20 0.33
CYP3A4 P08684 1/20 0.33
CRABP2 P29373 1/20 0.33
CYP26B1 Q9NR63 1/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL1140723 0.80 RXRA (0.44) RXRARXRBRARBRARGRXRG
SCHEMBL29945228 0.80 RXRA (0.44) RXRARXRBRARBRARGRXRG
SCHEMBL6086642 0.80 RXRA (0.39) RXRARXRBRARBRARGRXRG
SCHEMBL6087329 0.76 RXRA (0.39) RXRARXRBRARBRARGRXRG
SCHEMBL6086569 0.75 RXRA (0.39) RXRARXRBRARBRARGRXRG
SCHEMBL6087176 0.74 MAP3K14 (0.39) RXRARXRBRARBRARGRXRG
SCHEMBL6086326 0.72 RXRA (0.39) RXRARXRBRARBRARGRXRG
SCHEMBL19343350 0.72 GABRA1 (0.43) RXRARXRBRARBRARGRXRG
SCHEMBL6086519 0.71 MAP3K14 (0.39) RXRARXRBRARBRARGRXRG
SCHEMBL6234031 0.71 RXRA (0.37) RXRARXRBRARBRARGRXRG

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
US-6403638-B1 COMPOUND FOR USE IN TREATING SKIN DISEASES AND DISORDERS, AND FOR TREATING HYPERVITAMINOSIS A SYNDROME ALLERGAN SALES, INC. 2002-06-11 US disclosed
WO-2001070662-A2 2,4-PENTADIENOIC ACID DERIVATIVES HAVING SELECTIVE ACTIVITY FOR RETINOID X (RXR) RECEPTORS ALLERGAN , INC. (US) 2001-09-27 WO disclosed