SCHEMBL9254042

SCHEMBL9254042

CC1(C)CCC(C)(C)c2cc(OC(=O)c3ccccc3C(=O)O)ccc21

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RXRA P19793 10/20 0.55
RXRB P28702 8/20 0.55
RXRG P48443 6/20 0.55
RARB P10826 12/20 0.48
RARG P13631 11/20 0.48
RARA P10276 9/20 0.47
CYP26A1 O43174 3/20 0.47
CYP26B1 Q9NR63 2/20 0.47
CYP3A4 P08684 2/20 0.46
PPARG P37231 1/20 0.44
CRABP2 P29373 1/20 0.44

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
SCHEMBL9186843 0.84 RARA (0.47) RXRARXRBRXRGRARBRARG
SCHEMBL10409337 0.81 RARA (0.47) RXRARXRBRXRGRARBRARG
SCHEMBL9175151 0.80 RXRA (0.74) RXRARXRBRXRGRARBRARG
SCHEMBL9175054 0.80 RXRA (0.60) RXRARXRBRXRGRARBRARG
SCHEMBL9350492 0.79 ALDH1A1 (0.61) RXRARXRBRXRGRARBRARG
SCHEMBL9253962 0.77 RXRA (0.53) RXRARXRBRXRGRARBRARG
SCHEMBL9551753 0.77 RXRA (0.57) RXRARXRBRXRGRARBRARG
SCHEMBL29440075 0.77 RXRA (0.68) RXRARXRBRXRGRARBRARG
SCHEMBL2128581 0.77 RXRA (0.68) RXRARXRBRXRGRARBRARG
SCHEMBL29204714 0.77 ALDH1A1 (0.58) CYP3A4

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-0642499-A1 RETINOIDS AND THEIR USE IN TREATING SKIN DISEASES AND LEUKEMIA PFIZER INC. (US) 1995-03-15 EP disclosed
WO-1993006086-A1 RETINOIDS AND THEIR USE IN TREATING SKIN DISEASES AND LEUKEMIA PFIZER INC. (US) 1993-04-01 WO disclosed