SCHEMBL7684901

SCHEMBL7684901

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 13/20 0.43
RARB P10826 12/20 0.43
RARG P13631 12/20 0.43
RXRA P19793 8/20 0.36
IKBKB O14920 2/20 0.36
MEN1 O00255 1/20 0.35
NR1I2 O75469 1/20 0.35
LMNA P02545 1/20 0.35
PGR P06401 1/20 0.35
HSPD1 P10809 1/20 0.35
GOT1 P17174 1/20 0.35
GLRA1 P23415 1/20 0.35
BLM P54132 1/20 0.35
HSPE1 P61604 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HDAC11 Q96DB2 3/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC8 Q9BY41 1/20 0.34

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
SCHEMBL7683398 0.92 RARG (0.46) RARARARBRARGRXRAIKBKB
SCHEMBL7690025 0.89 RARA (0.44) RARARARBRARGRXRAIKBKB
SCHEMBL7690023 0.89 RARA (0.44) RARARARBRARGRXRAIKBKB
SCHEMBL7690029 0.89 RARA (0.44) RARARARBRARGRXRAIKBKB
SCHEMBL7685634 0.88 RARA (0.55) RARARARBRARGRXRAIKBKB
SCHEMBL7685633 0.88 RARA (0.55) RARARARBRARGRXRAIKBKB
SCHEMBL7685636 0.88 RARA (0.55) RARARARBRARGRXRAIKBKB
SCHEMBL7684895 0.86 RARA (0.42) RARARARBRARGRXRAIKBKB
SCHEMBL7686283 0.84 RARA (0.48) RARARARBRARGIKBKBMEN1
SCHEMBL7683181 0.83 RARA (0.46) RARARARBRARGRXRAMEN1

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