SCHEMBL8397882

SCHEMBL8397882

CCOC(OC)Oc1cc(C(=O)O)ccc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARG P13631 12/20 0.48
RARB P10826 11/20 0.48
RARA P10276 10/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
NR1I2 O75469 1/20 0.48
LMNA P02545 1/20 0.48
PGR P06401 1/20 0.48
HSPD1 P10809 1/20 0.48
GOT1 P17174 1/20 0.48
GLRA1 P23415 1/20 0.48
BLM P54132 1/20 0.48
HSPE1 P61604 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 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
SCHEMBL5888168 0.91 RARB (0.53) RARGRARBRARAMEN1KMT2A
SCHEMBL8399151 0.91 RARA (0.39) RARGRARBRARAMEN1KMT2A
SCHEMBL8431715 0.91 RARB (0.43) RARGRARBRARAMEN1KMT2A
SCHEMBL8436675 0.90 RARA (0.41) RARGRARBRARAMEN1KMT2A
SCHEMBL8432429 0.90 CYP3A4 (0.48) RARGRARBRARAMEN1KMT2A
SCHEMBL8433865 0.89 RARA (0.54) RARGRARBRARAMEN1KMT2A
SCHEMBL8433276 0.89 RARA (0.44) RARGRARBRARAMEN1KMT2A
SCHEMBL8431871 0.89 RARG (0.63) RARGRARBRARAMEN1KMT2A
SCHEMBL8431926 0.89 RARG (0.63) RARGRARBRARAMEN1KMT2A
SCHEMBL8433281 0.88 RARA (0.57) RARGRARBRARAMEN1KMT2A

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-5877342-A SKIN DISORDERS; RESPIRATORY SYSTEM DISORDERS; CARDIOVASCULAR DISORDERS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUIES GALDERMA (FR) 1999-03-02 US disclosed