SCHEMBL7876485

SCHEMBL7876485

CC(=CC(=O)Cl)c1ccc2c(c1)C(C)(C)CCC2(C)C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 14/20 0.60
RARG P13631 14/20 0.60
RARB P10826 13/20 0.60
RARA P10276 12/20 0.60
CYP26A1 O43174 4/20 0.60
ALDH1A1 P00352 2/20 0.60
CYP1A2 P05177 2/20 0.60
CYP3A4 P08684 2/20 0.60
CYP2C19 P33261 2/20 0.60
KDM4E B2RXH2 1/20 0.60
NPC1 O15118 1/20 0.60
GMNN O75496 1/20 0.60
USP2 O75604 1/20 0.60
LMNA P02545 1/20 0.60
TP53 P04637 1/20 0.60
POLB P06746 1/20 0.60
CYP2D6 P10635 1/20 0.60
NFKB1 P19838 1/20 0.60
THPO P40225 1/20 0.60
MTOR P42345 1/20 0.60

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
SCHEMBL7876483 1.00 RXRA (0.60) RXRARARGRARBRARACYP26A1
SCHEMBL8183716 0.86 RXRA (0.66) RXRARARGRARBRARACYP26A1
SCHEMBL6958780 0.86 RXRA (0.66) RXRARARGRARBRARACYP26A1
SCHEMBL7876468 0.86 RXRA (0.66) RXRARARGRARBRARACYP26A1
SCHEMBL1022234 0.80 RXRA (0.63) RXRARARGRARBRARACYP26A1
SCHEMBL8338805 0.80 RXRA (0.61) RXRARARGRARBRARACYP26A1
SCHEMBL8904248 0.80 RXRA (0.61) RXRARARGRARBRARACYP26A1
SCHEMBL11261122 0.80 RARG (0.78) RXRARARGRARBRARACYP26A1
SCHEMBL11134837 0.80 RARG (0.78) RXRARARGRARBRARACYP26A1
SCHEMBL7872163 0.79 RXRA (0.54) RXRARARGRARBRARACYP26A1

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-6326510-B1 SKIN DISORDERS; ANTICANCER AGENTS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (FR) 2001-12-04 US disclosed