SCHEMBL9622366

SCHEMBL9622366

COc1ccc(C(O)Cc2ccc(C(=O)O)cc2)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 8/20 0.59
RARG P13631 8/20 0.59
RARA P10276 7/20 0.59
MEN1 O00255 1/20 0.58
NR1I2 O75469 1/20 0.58
LMNA P02545 1/20 0.58
PGR P06401 1/20 0.58
HSPD1 P10809 1/20 0.58
GOT1 P17174 1/20 0.58
GLRA1 P23415 1/20 0.58
BLM P54132 1/20 0.58
HSPE1 P61604 1/20 0.58
KMT2A Q03164 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
S1PR1 P21453 1/20 0.47
PPARG P37231 3/20 0.47
PPARA Q07869 3/20 0.47
PPARD Q03181 2/20 0.47
PDE4A P27815 1/20 0.46
IKBKB O14920 3/20 0.45

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 0.87 RARA (0.63) RARBRARGRARAMEN1NR1I2
SCHEMBL10387338 0.84 RARA (0.57) RARBRARGRARAMEN1NR1I2
SCHEMBL8997645 0.83 RARA (0.64) RARBRARGRARAMEN1NR1I2
SCHEMBL565789 0.81 RARA (0.77) RARBRARGRARAMEN1NR1I2
SCHEMBL1082340 0.81 RARA (0.77) RARBRARGRARAMEN1NR1I2
Hydrochloric Acid SCHEMBL9124255 0.80 RARA (0.76) RARBRARGRARAMEN1NR1I2
SCHEMBL8872840 0.80 RARA (0.62) RARBRARGRARAMEN1NR1I2
SCHEMBL6570369 0.80 S1PR1 (0.71) RARBRARGRARAMEN1NR1I2
SCHEMBL8426342 0.80 RARA (0.60) RARBRARGRARAMEN1NR1I2
SCHEMBL14027627 0.79 RARB (0.82) RARBRARGRARAMEN1NR1I2

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