SCHEMBL9622135

SCHEMBL9622135

COc1ccc(C(=O)c2ccc3cc(C(=O)O)ccc3c2)c(C23CC4CC(CC(C4)C2)C3)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 10/20 0.61
RARG P13631 10/20 0.61
RARA P10276 7/20 0.61
KMT2A Q03164 4/20 0.61
MEN1 O00255 3/20 0.61
NR1I2 O75469 1/20 0.61
LMNA P02545 1/20 0.61
PGR P06401 1/20 0.61
HSPD1 P10809 1/20 0.61
GOT1 P17174 1/20 0.61
GLRA1 P23415 1/20 0.61
BLM P54132 1/20 0.61
HSPE1 P61604 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
ALDH1A1 P00352 3/20 0.54
KDM4E B2RXH2 2/20 0.54
HPGD P15428 2/20 0.54
HSD17B10 Q99714 2/20 0.54
TP53 P04637 1/20 0.54
CYP3A4 P08684 1/20 0.54

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
SCHEMBL9622121 0.92 ALDH1A1 (0.53) RARBRARGRARAKMT2AMEN1
SCHEMBL9622143 0.87 RARB (0.48) RARBRARGRARAKMT2AMEN1
SCHEMBL6878528 0.84 KMT2A (0.51) RARBRARGRARAKMT2AMEN1
SCHEMBL9300831 0.83 RARB (0.69) RARBRARGRARAKMT2AMEN1
SCHEMBL6364826 0.81 RARB (0.70) RARBRARGRARAKMT2AMEN1
SCHEMBL8458512 0.81 RARB (0.81) RARBRARGRARAKMT2AMEN1
SCHEMBL5081241 0.81 RARG (0.72) RARBRARGRARAKMT2AMEN1
Hydrochloric Acid SCHEMBL9079139 0.80 RARG (0.71) RARBRARGRARAKMT2AMEN1
SCHEMBL7904172 0.79 KMT2A (0.48) RARBRARGRARAKMT2AMEN1
SCHEMBL8766318 0.77 RARG (0.77) RARBRARGRARAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5023363-A Antiinflammatory agent, antiallergens, skin disorders, vision defects L'OREAL (FR) 1991-06-11 US claimed
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