SCHEMBL7920764

SCHEMBL7920764

C=CCOC(=O)c1ccc(-c2ccc3cc(C(=O)OCC)c(C45CC6CC(CC(C6)C4)C5)cc3c2OCCCCC)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.35
RARB P10826 7/20 0.35
RARG P13631 7/20 0.35
RARA P10276 4/20 0.34
PPARG P37231 3/20 0.34
LMNA P02545 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NR1I2 O75469 1/20 0.34
PGR P06401 1/20 0.34
HSPD1 P10809 1/20 0.34
GOT1 P17174 1/20 0.34
GLRA1 P23415 1/20 0.34
BLM P54132 1/20 0.34
HSPE1 P61604 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HPGD P15428 2/20 0.34
MAPK1 P28482 2/20 0.34
RECQL P46063 1/20 0.34
HSD17B10 Q99714 2/20 0.33

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
SCHEMBL7929547 0.89 RARB (0.43) IKBKBRARBRARGRARALMNA
SCHEMBL7926540 0.87 RARB (0.42) IKBKBRARBRARGRARAPPARG
SCHEMBL8457995 0.80 PTPN11 (0.44) IKBKBPPARGLMNAMEN1KMT2A
SCHEMBL7927712 0.78 MEN1 (0.43) IKBKBRARBRARGRARAPPARG
SCHEMBL8457985 0.77 PTPN11 (0.43) IKBKBPPARGLMNAMEN1KMT2A
SCHEMBL8460807 0.76 CNR2 (0.40) RARBRARGRARAPPARGLMNA
SCHEMBL7932580 0.72 RARB (0.45) IKBKBRARBRARGRARALMNA
SCHEMBL7920762 0.71 RARB (0.44) RARBRARGRARALMNAMEN1
SCHEMBL7920758 0.69 RARB (0.42) RARBRARGRARAPPARGLMNA
SCHEMBL8457998 0.68 CNR2 (0.42) RARBRARGRARAPPARGLMNA

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-6225328-B1 FOR THERAPY OF DISORDERS OR AILMENTS RELATED TO AN OVERREGULATION OF RETINOIC ACID RECEPTORS AND/OR TO HYPERVIAMINOSIS A CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (FR) 2001-05-01 US disclosed