SCHEMBL9090674

SCHEMBL9090674

COc1c(C#Cc2ccc(C(=O)O)c(O)c2)ccc(OC(C)OC)c1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.36
RARA P10276 2/20 0.36
RARB P10826 2/20 0.36
RARG P13631 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NR1I2 O75469 1/20 0.36
LMNA P02545 1/20 0.36
PGR P06401 1/20 0.36
HSPD1 P10809 1/20 0.36
GOT1 P17174 1/20 0.36
GLRA1 P23415 1/20 0.36
BLM P54132 1/20 0.36
HSPE1 P61604 1/20 0.36
PKM P14618 1/20 0.35
MAPT P10636 1/20 0.34
EPHX2 P34913 1/20 0.34
XDH P47989 1/20 0.34
SLC22A12 Q96S37 1/20 0.34

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
SCHEMBL8615261 0.77 RARA (0.42) RARARARBRARGTDP1MEN1
SCHEMBL15765977 0.76 CNR2 (0.48) CNR2RARARARBRARGTDP1
SCHEMBL8615263 0.75 RARA (0.39) CNR2RARARARBRARGTDP1
SCHEMBL8434839 0.70 RARA (0.41) CNR2RARARARBRARGTDP1
SCHEMBL7929960 0.70 RARA (0.44) RARARARBRARGTDP1MEN1
SCHEMBL6429954 0.69 RARA (0.57) RARARARBRARGTDP1MEN1
SCHEMBL15766000 0.69 TDP1 (0.51) CNR2RARARARBRARGTDP1
SCHEMBL9091280 0.69 EPHX2 (0.40) RARARARBRARGTDP1MEN1
SCHEMBL8567722 0.69 RARA (0.51) CNR2RARARARBRARGTDP1
SCHEMBL8567726 0.69 CNR2 (0.41) CNR2RARARARBRARGTDP1

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-5574036-A Adamantyl-substituted polycyclic acetylene compounds and pharmaceutical/cosmetic compositions comprised thereof CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1996-11-12 US claimed