SCHEMBL9453263

SCHEMBL9453263

CCOC(=O)c1ccc(NC(=O)c2ccc(OC)c(C34CC5CC(CC(C5)C3)C4)c2)cc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.48
MAPT P10636 3/20 0.47
MAPK1 P28482 3/20 0.47
ALDH1A1 P00352 2/20 0.47
RARA P10276 2/20 0.45
RARB P10826 2/20 0.45
RARG P13631 2/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 2/20 0.44
NR1I2 O75469 1/20 0.44
PGR P06401 1/20 0.44
HSPD1 P10809 1/20 0.44
GOT1 P17174 1/20 0.44
GLRA1 P23415 1/20 0.44
BLM P54132 1/20 0.44
HSPE1 P61604 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
GAA P10253 2/20 0.44
PKM P14618 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
SCHEMBL9485994 0.92 EPHX2 (0.57) EPHX2MAPTMAPK1RARARARB
SCHEMBL8462108 0.88 RARA (0.53) EPHX2RARARARBRARGMEN1
SCHEMBL6536442 0.82 RARA (0.55) ALDH1A1RARARARBRARGMEN1
SCHEMBL8696978 0.81 NPC1 (0.56) EPHX2MAPTMAPK1ALDH1A1RARA
SCHEMBL14425206 0.80 RARA (0.50) ALDH1A1RARARARBRARGMEN1
SCHEMBL9453200 0.80 RARA (0.50) EPHX2MAPTRARARARBRARG
SCHEMBL9453260 0.79 RARA (0.48) EPHX2MAPTMAPK1ALDH1A1RARA
SCHEMBL4936267 0.79 RARA (0.65) EPHX2MAPK1ALDH1A1RARARARB
SCHEMBL9453208 0.79 RARA (0.56) EPHX2MAPTALDH1A1RARARARB
SCHEMBL9453322 0.79 RARA (0.53) MAPTALDH1A1RARARARBRARG

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-5212203-A Skin disorders CENTRE INTERNATIONAL DE RECHERCHES DERMATOGOLOGIQUES (C.I.R.D.) (FR) 1993-05-18 US disclosed