SCHEMBL10835366

SCHEMBL10835366

COC(=O)Cc1ccc2cc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)ccc2c1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RARA P10276 8/20 0.57
RARB P10826 8/20 0.57
RARG P13631 7/20 0.57
CYP11B1 P15538 1/20 0.49
CYP11B2 P19099 1/20 0.49
PPARG P37231 4/20 0.46
CYP3A4 P08684 1/20 0.44
CYP26A1 O43174 4/20 0.43
RXRA P19793 2/20 0.43
RXRB P28702 2/20 0.43
RXRG P48443 2/20 0.43
CYP26B1 Q9NR63 3/20 0.43

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
SCHEMBL10834790 0.88 RARA (0.55) RARARARBRARGPPARGCYP3A4
SCHEMBL8102850 0.87 RXRA (0.55) RARARARBRARGPPARGCYP3A4
SCHEMBL21451484 0.84 CYP11B1 (0.59) CYP11B1CYP11B2
SCHEMBL10835419 0.83 RXRA (0.41) RARARARBRARGCYP11B1CYP11B2
SCHEMBL10834477 0.80 RARB (0.59) RARARARBRARGPPARGCYP26A1
SCHEMBL18775432 0.78 RARB (0.73) RARARARBRARGCYP11B1CYP11B2
SCHEMBL12058771 0.78 PTPN11 (0.47) RARARARBRARGCYP11B1CYP11B2
SCHEMBL21620954 0.78 ALDH1A1 (0.61) CYP11B1CYP11B2CYP3A4
SCHEMBL10835377 0.77 RARA (0.60) RARARARBRARGCYP26A1RXRA
SCHEMBL29567307 0.76 CYP26A1 (0.74) RARBRARGPPARGCYP3A4CYP26A1

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-4581380-A TREATMENT OF SKIN DISORDERS;ANTIINFLAMMATORY AGENTS Groupement Economique dite: Centre National de Recherches Dermatologiques C.I.R.D. (FR) 1986-04-08 US disclosed