SCHEMBL5613344

SCHEMBL5613344

COc1ccc(-c2ccc(OC)cc2C23CC4CC(CC(C4)C2)C3)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.44
KMT2A Q03164 3/20 0.43
LMNA P02545 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
MEN1 O00255 2/20 0.43
NR1I2 O75469 1/20 0.43
PGR P06401 1/20 0.43
RARA P10276 1/20 0.43
HSPD1 P10809 1/20 0.43
RARB P10826 1/20 0.43
RARG P13631 1/20 0.43
GOT1 P17174 1/20 0.43
GLRA1 P23415 1/20 0.43
BLM P54132 1/20 0.43
HSPE1 P61604 1/20 0.43
CNR2 P34972 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
ALOX12 P18054 2/20 0.41

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
SCHEMBL9300831 0.80 RARB (0.69) PPARGKMT2ALMNATDP1MEN1
SCHEMBL9763566 0.78 KMT2A (0.43) PPARGKMT2ALMNATDP1MEN1
SCHEMBL6447663 0.78 CNR2 (0.50) PPARGKMT2ALMNATDP1MEN1
SCHEMBL4748043 0.78 KMT2A (0.43) PPARGKMT2ALMNATDP1MEN1
SCHEMBL9763559 0.77 KMT2A (0.42) PPARGKMT2ALMNATDP1MEN1
SCHEMBL3322256 0.76 KMT2A (0.48) PPARGKMT2ALMNATDP1MEN1
SCHEMBL18043698 0.76 CNR2 (0.48) PPARGKMT2ALMNATDP1MEN1
SCHEMBL18043697 0.76 CNR2 (0.48) KMT2ALMNATDP1MEN1NR1I2
SCHEMBL3235386 0.76 KMT2A (0.44) PPARGKMT2ALMNATDP1MEN1
SCHEMBL3347374 0.76 SLC6A3 (0.44) PPARGKMT2ALMNATDP1MEN1

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-1868980-A2 NEW METHOD FOR THE PREPARATION OF 6-(3-(1-ADAMANTYL)-4-METHOXPHENYL)-2-NAPHTHOIC ACID Galderma Research & Development (FR) 2007-12-26 EP disclosed
WO-2006108717-A2 NEW METHOD FOR THE PREPARATION OF 6-(3-(1-ADAMANTYL)-4-METHOXPHENYL)-2-NAPHTHOIC ACID GALDERMA RESEARCH & DEVELOPMENT (FR) 2006-10-19 WO disclosed