SCHEMBL9622397

SCHEMBL9622397

COc1ccc(C(O)c2ccc(C(=O)O)c(C)c2)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 5/20 0.53
RARB P10826 4/20 0.53
RARG P13631 4/20 0.53
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
LMNA P02545 2/20 0.53
NR1I2 O75469 1/20 0.53
PGR P06401 1/20 0.53
HSPD1 P10809 1/20 0.53
GOT1 P17174 1/20 0.53
GLRA1 P23415 1/20 0.53
BLM P54132 1/20 0.53
HSPE1 P61604 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
HDAC11 Q96DB2 2/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL6364992 0.88 RARA (0.63) RARARARBRARGKMT2AMEN1
SCHEMBL13330402 0.83 RARA (0.49) RARARARBRARGKMT2AMEN1
SCHEMBL5084769 0.79 RARA (0.57) RARARARBRARGKMT2AMEN1
SCHEMBL9320668 0.79 RARA (0.55) RARARARBRARGKMT2AMEN1
SCHEMBL9622366 0.77 RARB (0.59) RARARARBRARGKMT2AMEN1
SCHEMBL1082340 0.77 RARA (0.77) RARARARBRARGKMT2AMEN1
SCHEMBL565789 0.77 RARA (0.77) RARARARBRARGKMT2AMEN1
SCHEMBL9191306 0.76 RARA (0.55) RARARARBRARGKMT2AMEN1
SCHEMBL6535745 0.76 RARA (0.47) RARARARBRARGKMT2AMEN1
Hydrochloric Acid SCHEMBL9124255 0.76 RARA (0.76) RARARARBRARGKMT2AMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5093516-A AROMATIC COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND THEIR USE IN HUMAN AND VETERINARY MEDICINE AND FOR COSMETIC COMPOSITIONS L'OREAL (FR) 1992-03-03 US disclosed
US-5023363-A Antiinflammatory agent, antiallergens, skin disorders, vision defects L'OREAL (FR) 1991-06-11 US disclosed