SCHEMBL7927713

SCHEMBL7927713

CCCCCCOC(=O)c1ccc(-c2ccc3cc(OCOCCOC)c(C45CC6CC(CC(C6)C4)C5)cc3c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 4/20 0.50
RARA P10276 7/20 0.47
RARB P10826 7/20 0.47
RARG P13631 7/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
NR1I2 O75469 1/20 0.47
LMNA P02545 1/20 0.47
PGR P06401 1/20 0.47
HSPD1 P10809 1/20 0.47
GOT1 P17174 1/20 0.47
GLRA1 P23415 1/20 0.47
BLM P54132 1/20 0.47
HSPE1 P61604 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
THRB P10828 1/20 0.43
RECQL P46063 1/20 0.43
NR2E1 Q9Y466 1/20 0.43
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL7929470 0.94 IKBKB (0.51) IKBKBRARARARBRARGMEN1
SCHEMBL7927677 0.88 IKBKB (0.53) IKBKBRARARARBRARGMEN1
SCHEMBL7927708 0.88 RARB (0.46) IKBKBRARARARBRARGMEN1
SCHEMBL7920651 0.86 RARB (0.54) RARARARBRARGMEN1KMT2A
SCHEMBL1361023 0.86 IKBKB (0.63) IKBKBRARARARBRARGMEN1
SCHEMBL7929428 0.85 IKBKB (0.53) IKBKBRARARARBRARGMEN1
SCHEMBL7930000 0.84 IKBKB (0.51) IKBKBRARARARBRARGMEN1
SCHEMBL7927821 0.83 RARB (0.55) IKBKBRARARARBRARGMEN1
SCHEMBL7926536 0.82 IKBKB (0.50) IKBKBRARARARBRARGMEN1
SCHEMBL7521122 0.82 MEN1 (0.61) RARARARBRARGMEN1KMT2A

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