SCHEMBL7920758

SCHEMBL7920758

C=CCOC(=O)c1ccc(-c2ccc3cc(OC(CCCC)C(=O)OCC)c(C45CC6CC(CC(C6)C4)C5)cc3c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 7/20 0.42
RARG P13631 7/20 0.42
RARA P10276 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
NR1I2 O75469 1/20 0.42
LMNA P02545 1/20 0.42
PGR P06401 1/20 0.42
HSPD1 P10809 1/20 0.42
GOT1 P17174 1/20 0.42
GLRA1 P23415 1/20 0.42
BLM P54132 1/20 0.42
HSPE1 P61604 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
RECQL P46063 2/20 0.41
THRB P10828 1/20 0.41
NR2E1 Q9Y466 1/20 0.41
HDAC11 Q96DB2 4/20 0.37
HPGD P15428 2/20 0.36
MAPK1 P28482 2/20 0.36

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
SCHEMBL7932577 0.95 RARB (0.43) RARBRARGRARAMEN1KMT2A
SCHEMBL7927697 0.88 MEN1 (0.55) RARBRARGRARAMEN1KMT2A
SCHEMBL7926529 0.83 MEN1 (0.56) RARBRARGRARAMEN1KMT2A
SCHEMBL7932580 0.81 RARB (0.45) RARBRARGRARAMEN1KMT2A
SCHEMBL7926469 0.81 RARB (0.47) RARBRARGRARAMEN1KMT2A
SCHEMBL7920762 0.81 RARB (0.44) RARBRARGRARAMEN1KMT2A
SCHEMBL7929483 0.81 MEN1 (0.57) RARBRARGRARAMEN1KMT2A
SCHEMBL7927805 0.79 MEN1 (0.56) RARBRARGRARAMEN1KMT2A
SCHEMBL7929994 0.78 MEN1 (0.67) RARBRARGRARAMEN1KMT2A
SCHEMBL7927698 0.76 MEN1 (0.58) RARBRARGRARAMEN1KMT2A

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