SCHEMBL9763559

SCHEMBL9763559

COc1ccc(Sc2ccc(OC)cc2C23CC4CC(CC(C4)C2)C3)c(C23CC4CC(CC(C4)C2)C3)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.42
CNR2 P34972 3/20 0.41
LMNA P02545 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
ALOX12 P18054 2/20 0.41
HTT P42858 1/20 0.41
PPARG P37231 1/20 0.39
MEN1 O00255 4/20 0.39
NR1I2 O75469 1/20 0.39
PGR P06401 1/20 0.39
RARA P10276 1/20 0.39
HSPD1 P10809 1/20 0.39
RARB P10826 1/20 0.39
RARG P13631 1/20 0.39
GOT1 P17174 1/20 0.39
GLRA1 P23415 1/20 0.39
BLM P54132 1/20 0.39
HSPE1 P61604 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
SCHEMBL6447663 0.79 CNR2 (0.50) KMT2ACNR2LMNATDP1KDM4E
SCHEMBL4748043 0.79 KMT2A (0.43) KMT2ACNR2LMNATDP1KDM4E
SCHEMBL9763566 0.79 KMT2A (0.43) KMT2ACNR2LMNATDP1KDM4E
SCHEMBL18043697 0.78 CNR2 (0.48) KMT2ACNR2LMNATDP1KDM4E
SCHEMBL18043698 0.78 CNR2 (0.48) KMT2ACNR2LMNATDP1KDM4E
SCHEMBL5613344 0.77 PPARG (0.44) KMT2ACNR2LMNATDP1KDM4E
SCHEMBL3235386 0.77 KMT2A (0.44) KMT2ACNR2LMNATDP1KDM4E
SCHEMBL11783889 0.76 ALDH1A1 (0.49) KMT2ACNR2LMNATDP1KDM4E
SCHEMBL4492866 0.75 KMT2A (0.43) KMT2ACNR2LMNATDP1KDM4E
SCHEMBL7904172 0.75 KMT2A (0.48) KMT2ACNR2LMNATDP1PPARG

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-5015758-A Process for the preparation of 1-adamantane derivatives CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (CIRD) (FR) 1991-05-14 US disclosed