SCHEMBL9047780

SCHEMBL9047780

COC(=O)c1ccc2c(C(=O)c3ccc4c(c3)C(C)(C)CCC4(C)C)cccc2c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RARB P10826 10/20 0.51
RARG P13631 9/20 0.51
RARA P10276 9/20 0.51
CYP26A1 O43174 5/20 0.51
CYP26B1 Q9NR63 1/20 0.51
CYP3A4 P08684 4/20 0.51
RXRA P19793 5/20 0.48
RXRB P28702 4/20 0.48
RXRG P48443 3/20 0.48
LCK P06239 1/20 0.42
HNF4A P41235 1/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL9051406 0.87 RARB (0.68) RARBRARGRARACYP26A1CYP26B1
SCHEMBL31191789 0.87 RARB (0.68) RARBRARGRARACYP26A1CYP26B1
SCHEMBL7899482 0.83 RXRA (0.61) RARBRARGRARACYP26A1CYP26B1
SCHEMBL10459708 0.82 RXRA (0.56) RARBRARGRARACYP26A1CYP26B1
SCHEMBL2788640 0.81 CYP3A4 (0.70) RARBRARGRARACYP26A1CYP26B1
SCHEMBL9050990 0.81 RARB (0.47) RARBRARGRARACYP26A1CYP26B1
SCHEMBL8158825 0.79 PDE4B (0.56) RARBRARGRARACYP26A1CYP26B1
SCHEMBL7422927 0.79 RXRA (0.70) RARBRARGRARACYP26A1CYP26B1
SCHEMBL8165528 0.78 PDE4B (0.43) RARBRARGRARACYP26A1CYP26B1
SCHEMBL6901737 0.77 RXRA (0.61) RARBRARGRARACYP26A1CYP26B1

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
WO-1995033745-A9 NOVEL COMPOUNDS USEFUL IN MODULATING GENE EXPRESSION OF RETINOID RESPONSIVE GENES AND/OR HAVING ANTI-AP-1 ACTIVITY 1996-01-18 WO disclosed
WO-1995033745-A2 NOVEL COMPOUNDS USEFUL IN MODULATING GENE EXPRESSION OF RETINOID RESPONSIVE GENES AND/OR HAVING ANTI-AP-1 ACTIVITY SRI INTERNATIONAL (US) 1995-12-14 WO disclosed