SCHEMBL7949488

SCHEMBL7949488

C=CC(c1ccc(C(=O)OC)cn1)c1cc2c(cc1C)C(C)(C)CCC2(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 14/20 0.43
CYP3A4 P08684 3/20 0.42
RARB P10826 5/20 0.41
RARG P13631 5/20 0.41
RARA P10276 4/20 0.41
RXRB P28702 9/20 0.41
RXRG P48443 9/20 0.41
PPARG P37231 2/20 0.41
CYP26A1 O43174 3/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39

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
SCHEMBL7923059 0.89 RXRA (0.55) RXRARARBRARGRARARXRB
SCHEMBL7947694 0.84 CYP3A4 (0.47) RXRACYP3A4RARBRARGRARA
SCHEMBL7941372 0.80 RXRA (0.43) RXRACYP3A4RARBRARGRARA
SCHEMBL7931172 0.74 RXRA (0.70) RXRARARBRARGRARARXRB
SCHEMBL14785605 0.73 RARB (0.56) RXRACYP3A4RARBRARGRARA
SCHEMBL6905878 0.73 RXRA (0.77) RXRACYP3A4RARBRARGRARA
SCHEMBL6902498 0.73 RXRA (0.60) RXRACYP3A4RARBRARGRARA
SCHEMBL17049057 0.73 CYP3A4 (0.47) RXRACYP3A4RARBRARGRARA
SCHEMBL727058 0.73 RXRA (0.68) RXRARARBRARGRARARXRB
SCHEMBL7929446 0.72 RXRA (0.55) RXRACYP3A4RARBRARGRARA

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-6265423-B1 SKIN DISORDERS; ANTICANCER AGENTS CENTRE EUROPEEN DE BIOPROSPECTIVE-CEB (FR) 2001-07-24 US disclosed