SCHEMBL7926568

SCHEMBL7926568

CCOCOc1c(-c2ccc(O)cc2)ccc2cc(OC)c(C34CC5CC(CC(C5)C3)C4)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 2/20 0.41
RARB P10826 2/20 0.41
RARG P13631 2/20 0.41
MEN1 O00255 1/20 0.41
NR1I2 O75469 1/20 0.41
LMNA P02545 1/20 0.41
PGR P06401 1/20 0.41
HSPD1 P10809 1/20 0.41
GOT1 P17174 1/20 0.41
GLRA1 P23415 1/20 0.41
BLM P54132 1/20 0.41
HSPE1 P61604 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
IKBKB O14920 3/20 0.40
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
S1PR1 P21453 1/20 0.38
HDAC11 Q96DB2 2/20 0.36
HDAC2 Q92769 1/20 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
SCHEMBL7920676 0.90 IKBKB (0.42) RARARARBRARGMEN1NR1I2
SCHEMBL7920725 0.89 RARG (0.54) RARARARBRARGMEN1NR1I2
Hydrochloric Acid SCHEMBL7929378 0.88 RARG (0.53) RARARARBRARGMEN1NR1I2
SCHEMBL7102156 0.86 RARA (0.44) RARARARBRARGMEN1NR1I2
SCHEMBL8459019 0.86 IKBKB (0.39) RARARARBRARGMEN1NR1I2
SCHEMBL7927661 0.82 KMT2A (0.42) RARARARBRARGMEN1NR1I2
SCHEMBL8459847 0.81 IKBKB (0.46) RARARARBRARGMEN1NR1I2
Hydrochloric Acid SCHEMBL8457480 0.81 IKBKB (0.45) RARARARBRARGMEN1NR1I2
SCHEMBL7096456 0.79 RARG (0.49) RARARARBRARGMEN1NR1I2
SCHEMBL8459021 0.74 RARA (0.44) RARARARBRARGMEN1NR1I2

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