SCHEMBL7047540

SCHEMBL7047540

O=C(O)Oc1ccc2[nH]c(-c3ccc(O)c(C45CC6CC(CC(C6)C4)C5)c3)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 8/20 0.50
RARA P10276 6/20 0.50
RARG P13631 6/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
TP53 P04637 2/20 0.50
HPGD P15428 2/20 0.50
CYP3A4 P08684 1/20 0.50
MAPT P10636 1/20 0.50
ALOX15 P16050 1/20 0.50
ALOX12 P18054 1/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HSD17B10 Q99714 1/20 0.50
IKBKB O14920 2/20 0.43
THRB P10828 1/20 0.42
RECQL P46063 1/20 0.42
NR2E1 Q9Y466 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
SCHEMBL7796793 0.93 RARB (0.47) RARBRARARARGMEN1KMT2A
SCHEMBL6571495 0.88 RARA (0.54) RARBRARARARGMEN1KMT2A
SCHEMBL7795164 0.87 MEN1 (0.45) RARBRARARARGMEN1KMT2A
SCHEMBL7796798 0.85 RARB (0.47) RARBRARARARGMEN1KMT2A
SCHEMBL7052839 0.85 RARG (0.64) RARBRARARARGMEN1KMT2A
SCHEMBL7786948 0.83 RARB (0.44) RARBRARARARGMEN1KMT2A
SCHEMBL7786883 0.83 RARB (0.46) RARBRARARARGMEN1KMT2A
SCHEMBL9286338 0.80 SMN1; SMN2 (0.47) RARBRARARARGMEN1KMT2A
SCHEMBL9359985 0.79 RARB (0.46) RARBRARARARG
SCHEMBL8321300 0.79 RARA (0.64) RARBRARARARGMEN1KMT2A

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
EP-0862910-B1 Use of retinoids as skin pigmentation inducing agent GALDERMA RECH DERMATOLOGIQUE (FR) 2003-05-02 EP claimed