SCHEMBL9159796

SCHEMBL9159796

CC(=O)Oc1ccc(C(=O)OOC(=O)c2ccccc2)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 7/20 0.49
RARB P10826 6/20 0.49
RARG P13631 6/20 0.49
LMNA P02545 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NR1I2 O75469 1/20 0.46
PGR P06401 1/20 0.46
HSPD1 P10809 1/20 0.46
GOT1 P17174 1/20 0.46
GLRA1 P23415 1/20 0.46
BLM P54132 1/20 0.46
HSPE1 P61604 1/20 0.46
ELANE P08246 1/20 0.40
F2 P00734 1/20 0.40
IKBKB O14920 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL9159803 0.93 RARA (0.49) RARARARBRARGLMNATDP1
SCHEMBL9159799 0.84 KDM4E (0.53) RARARARBRARGLMNATDP1
SCHEMBL9127200 0.84 RARA (0.57) RARARARBRARGLMNATDP1
SCHEMBL9284517 0.82 MAPT (0.43) RARARARBRARGLMNATDP1
SCHEMBL8461975 0.79 RARA (0.61) RARARARBRARGLMNATDP1
SCHEMBL8839055 0.78 RARA (0.56) RARARARBRARGLMNATDP1
SCHEMBL9156506 0.76 RARA (0.52) RARARARBRARGLMNATDP1
SCHEMBL7047554 0.75 RARB (0.80) RARARARBRARGLMNATDP1
Adapalene SCHEMBL60989 0.75 RARB (0.84) RARARARBRARGLMNATDP1
Adapalene SCHEMBL29400148 0.75 RARB (0.84) RARARARBRARGLMNATDP1

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
EP-0409728-B1 Bi-aromatic esters, process for their preparation and their use in human or animal medicine and in cosmetics CIRD GALDERMA (FR) 1995-03-01 EP disclosed
EP-0409728-A2 Bi-aromatic esters, process for their preparation and their use in human or animal medicine and in cosmetics CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA, ( CIRD GALDERMA) (FR) 1991-01-23 EP disclosed