SCHEMBL5225041

SCHEMBL5225041

COc1cc(O)cc(NC(=O)c2ccccc2NC(=O)c2ccccc2C(C)(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.51
RXFP1 Q9HBX9 9/20 0.49
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
MEN1 O00255 2/20 0.49
POLB P06746 2/20 0.49
KMT2A Q03164 2/20 0.49
TSHR P16473 2/20 0.49
HSD17B10 Q99714 2/20 0.49
KDM4E B2RXH2 1/20 0.49
PPARG P37231 1/20 0.48
PPARA Q07869 1/20 0.48
HTT P42858 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPT P10636 2/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
RECQL P46063 1/20 0.47
PKM P14618 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL5224977 0.86 NR1H4 (0.69) NR1H4RXFP1RAB9ANPC1MEN1
SCHEMBL7243018 0.81 NR1H4 (0.72) NR1H4RXFP1RAB9ANPC1MEN1
SCHEMBL9851221 0.75 LMNA (0.63) NR1H4RAB9ANPC1MEN1POLB
SCHEMBL7217502 0.73 HPGD (0.61) NR1H4RAB9ANPC1MEN1POLB
SCHEMBL21652267 0.73 KCNK3 (0.56) RXFP1RAB9ANPC1MEN1KMT2A
SCHEMBL5223218 0.72 NR1H4 (0.73) NR1H4RXFP1RAB9ANPC1MEN1
SCHEMBL5226076 0.71 NPC1 (0.71) NR1H4RXFP1RAB9ANPC1MEN1
SCHEMBL24925441 0.71 HDAC1 (0.54) RAB9ANPC1HSD17B10KDM4ESMN1; SMN2
SCHEMBL5426350 0.71 NPC1 (0.82) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL11204897 0.70 NPC1 (0.70) RXFP1RAB9ANPC1POLBKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1014962-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2007-06-27 EP disclosed
EP-1014962-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-07-05 EP disclosed
WO-1999000121-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 WO disclosed