SCHEMBL7872280

SCHEMBL7872280

COC(=O)C=Cc1cccc(NC(=O)c2cc3c(cc2C)C(C)(C)CCC3(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 3/20 0.51
CYP26B1 Q9NR63 2/20 0.51
GLA P06280 1/20 0.47
MAPT P10636 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.46
SIRT1 Q96EB6 1/20 0.46
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
CYP2C9 P11712 1/20 0.44
ALDH1A1 P00352 1/20 0.44
SNCA P37840 1/20 0.43
PKM P14618 1/20 0.42
RXRA P19793 6/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42

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
SCHEMBL7872275 1.00 CYP26A1 (0.51) CYP26A1CYP26B1GLAMAPTSIRT2
SCHEMBL7872150 0.89 GLA (0.59) CYP26A1CYP26B1GLAMAPTMEN1
SCHEMBL7872151 0.89 GLA (0.59) CYP26A1CYP26B1GLAMAPTMEN1
SCHEMBL7872209 0.86 RARA (0.55) CYP26A1CYP26B1SIRT2SIRT1MEN1
SCHEMBL7872206 0.86 RARA (0.55) CYP26A1CYP26B1SIRT2SIRT1MEN1
SCHEMBL7900823 0.83 RXRA (0.53) CYP26A1CYP26B1MEN1KMT2ARXRA
SCHEMBL7900821 0.83 RXRA (0.53) CYP26A1CYP26B1MEN1KMT2ARXRA
SCHEMBL7876464 0.80 CYP26A1 (0.47) CYP26A1CYP26B1MEN1KMT2ASNCA
SCHEMBL7876465 0.80 CYP26A1 (0.47) CYP26A1CYP26B1MEN1KMT2ASNCA
SCHEMBL8445083 0.78 CYP26A1 (0.73) CYP26A1CYP26B1MEN1KMT2ACYP2C9

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