SCHEMBL8435663

SCHEMBL8435663

CCOC(OC)Oc1cc(C(O)C#Cc2ccc(C(=O)O)c(O)c2)ccc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.34
RARG P13631 6/20 0.34
RARA P10276 5/20 0.34
LMNA P02545 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NR1I2 O75469 1/20 0.34
PGR P06401 1/20 0.34
HSPD1 P10809 1/20 0.34
GOT1 P17174 1/20 0.34
GLRA1 P23415 1/20 0.34
BLM P54132 1/20 0.34
HSPE1 P61604 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PPARG P37231 2/20 0.31
PPARD Q03181 2/20 0.31
PPARA Q07869 2/20 0.31
CNR2 P34972 1/20 0.31
EPHX2 P34913 1/20 0.31
IKBKB O14920 2/20 0.30

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
SCHEMBL8432383 0.89 RARA (0.39) RARBRARGRARALMNAMEN1
SCHEMBL8434839 0.88 RARA (0.41) RARBRARGRARALMNAMEN1
SCHEMBL8397873 0.86 CNR2 (0.35) RARBRARGRARALMNAMEN1
SCHEMBL8615263 0.85 RARA (0.39) RARBRARGRARALMNAMEN1
SCHEMBL8435254 0.85 HDAC11 (0.32) RARBRARGRARAIKBKB
SCHEMBL8435758 0.84 LMNA (0.30) LMNA
SCHEMBL8428549 0.82 RARA (0.43) RARBRARGRARALMNAMEN1
SCHEMBL8690301 0.79 RARA (0.36) RARBRARGRARALMNAMEN1
SCHEMBL8433276 0.79 RARA (0.44) RARBRARGRARALMNAMEN1
SCHEMBL8394296 0.79 CNR2 (0.35) RARBRARGRARALMNAMEN1

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
EP-0776881-B1 Bi-aromatic compounds comprising an adamantyl group in para-position, pharmaceutical and cosmetic compositions containing them and their utilization CIRD GALDERMA (FR) 1999-12-08 EP claimed