SCHEMBL7688737

SCHEMBL7688737

CCOC(=O)C=C(C)C=CC=C(C)c1ccc(O)c(C23CC4CC(CC(C4)C2)C3)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 12/20 0.52
RARA P10276 12/20 0.52
RARG P13631 11/20 0.52
RXRA P19793 7/20 0.42
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
RXRB P28702 2/20 0.39
RXRG P48443 2/20 0.39
HDAC3 O15379 1/20 0.38

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
SCHEMBL7688736 1.00 RARB (0.52) RARBRARARARGRXRAKDM4E
SCHEMBL7688739 1.00 RARB (0.52) RARBRARARARGRXRAKDM4E
SCHEMBL7685636 0.89 RARA (0.55) RARBRARARARGRXRAMEN1
SCHEMBL7685634 0.89 RARA (0.55) RARBRARARARGRXRAMEN1
SCHEMBL7685633 0.89 RARA (0.55) RARBRARARARGRXRAMEN1
SCHEMBL7683176 0.87 RARA (0.46) RARBRARARARGRXRAMEN1
SCHEMBL7683181 0.87 RARA (0.46) RARBRARARARGRXRAMEN1
SCHEMBL7683189 0.87 RARA (0.46) RARBRARARARGRXRAMEN1
SCHEMBL7690025 0.86 RARA (0.44) RARBRARARARGRXRAMEN1
SCHEMBL7690029 0.86 RARA (0.44) RARBRARARARGRXRAMEN1

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
US-RE37947-E1 Aromatic polyenic compounds and pharmaceutical/cosmetic compositions comprised thereof CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 2002-12-31 US disclosed
US-5705167-A TREATMENT OF DERMATOLOGICAL, RHEUMATIC, RESPIRATORY, CARDIOVASCULAR, BONE AND OPHTHALMOLOGICAL DISORDERS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1998-01-06 US disclosed