SCHEMBL7920708

SCHEMBL7920708

COc1c(-c2ccc(C(=O)O)c(Cl)c2)ccc2cc(OC(C)OC)c(C34CC5CC(CC(C5)C3)C4)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARG P13631 6/20 0.43
RARA P10276 5/20 0.43
RARB P10826 5/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
NR1I2 O75469 1/20 0.43
LMNA P02545 1/20 0.43
PGR P06401 1/20 0.43
HSPD1 P10809 1/20 0.43
GOT1 P17174 1/20 0.43
GLRA1 P23415 1/20 0.43
BLM P54132 1/20 0.43
HSPE1 P61604 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
IKBKB O14920 2/20 0.38
PTPN11 Q06124 5/20 0.37
NR0B2 Q15466 2/20 0.37
HDAC11 Q96DB2 3/20 0.37
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35

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
SCHEMBL7929960 0.91 RARA (0.44) RARGRARARARBMEN1KMT2A
SCHEMBL7923498 0.87 RARB (0.53) RARGRARARARBMEN1KMT2A
Hydrochloric Acid SCHEMBL7929968 0.86 RARB (0.52) RARGRARARARBMEN1KMT2A
SCHEMBL7513943 0.76 RARG (0.48) RARGRARARARBMEN1KMT2A
SCHEMBL7926503 0.74 RARB (0.37) RARGRARARARBMEN1KMT2A
SCHEMBL7513944 0.74 RARG (0.48) RARGRARARARBMEN1KMT2A
SCHEMBL7102156 0.73 RARA (0.44) RARGRARARARBMEN1KMT2A
SCHEMBL7932581 0.72 RARA (0.36) RARGRARARARBMEN1KMT2A
SCHEMBL7691327 0.72 HDAC11 (0.41) RARGRARARARBMEN1KMT2A
SCHEMBL9334078 0.70 RARB (0.67) RARGRARARARBMEN1KMT2A

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