SCHEMBL7778339

SCHEMBL7778339

O=CCc1cccc(COc2ccc(CO)c(CO)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.46
MAOB P27338 6/20 0.45
PTPRC P08575 1/20 0.44
PTPN1 P18031 1/20 0.44
VDR P11473 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
MAOA P21397 4/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MRGPRX4 Q96LA9 1/20 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
SCHEMBL8761070 0.80 ALOX5 (0.58) MAOBMAPTMAOATSHRSMN1; SMN2
SCHEMBL6155391 0.78 MAOB (0.62) MAOBMAOASMN1; SMN2MRGPRX4
SCHEMBL7778148 0.77 VDR (0.43) VDR
SCHEMBL7770639 0.75 MAOB (0.38) F2MAOBPTPRCPTPN1POLB
SCHEMBL4451629 0.74 MAOB (0.40) MAOBPTPRCPTPN1MAOAMRGPRX4
SCHEMBL3641442 0.74 MAOB (0.59) MAOBMAOA
SCHEMBL1009475 0.73 MAOB (0.68) MAOBMAOA
SCHEMBL3643405 0.72 MAOB (0.54) MAOBMAOA
SCHEMBL27635063 0.72 MAOB (0.54) MAOBMAPTMAOASMN1; SMN2
SCHEMBL28115363 0.72 PTPN1 (0.49) F2MAOBPTPRCPTPN1MAOA

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-1124779-A1 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2001-08-22 EP disclosed
WO-2000026167-A1 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2000-05-11 WO disclosed