SCHEMBL9622187

SCHEMBL9622187

COC(=O)c1ccc(C(=O)c2ccc(O)c(C34CC5CC(CC(C5)C3)C4)c2)cc1

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
EPHX2 P34913 4/20 0.50
MEN1 O00255 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPT P10636 2/20 0.50
HPGD P15428 2/20 0.50
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 1/20 0.50
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.50
ALOX15 P16050 1/20 0.50
ALOX12 P18054 1/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HSD17B10 Q99714 1/20 0.50
HIF1A Q16665 2/20 0.48
MDH1 P40925 1/20 0.48
MDH2 P40926 1/20 0.48

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
SCHEMBL5888301 0.92 RARB (0.57) RARARARBRARGEPHX2MEN1
SCHEMBL9453206 0.86 EPHX2 (0.56) RARARARBRARGEPHX2MEN1
SCHEMBL8572597 0.84 HIF1A (0.48) RARARARBRARGEPHX2MEN1
SCHEMBL17364030 0.84 RARA (0.59) RARARARBRARGEPHX2MEN1
SCHEMBL9622324 0.84 RARA (0.70) RARARARBRARGEPHX2MEN1
SCHEMBL566894 0.81 CA12 (0.53) RARARARBRARGEPHX2MEN1
SCHEMBL9622186 0.81 CA12 (0.46) EPHX2MAPTTP53MAPK1HIF1A
SCHEMBL29462721 0.81 RARB (0.74) RARARARBRARGMEN1ALDH1A1
SCHEMBL3677626 0.81 RARB (0.74) RARARARBRARGMEN1ALDH1A1
SCHEMBL19639503 0.79 RARA (0.51) RARARARBRARGEPHX2MEN1

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