SCHEMBL9305419

SCHEMBL9305419

COc1ccc(OCCCOc2ccc(O)c(C(=O)O)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.54
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
PPARD Q03181 2/20 0.51
POLB P06746 2/20 0.51
APEX1 P27695 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MAPT P10636 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
HSD17B10 Q99714 2/20 0.49
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.49
ALOX12 P18054 1/20 0.49
KMT2A Q03164 1/20 0.49
PTPN11 Q06124 1/20 0.46

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
SCHEMBL9304812 0.97 MCL1 (0.54) MCL1NPC1RAB9APPARDPOLB
SCHEMBL9305720 0.95 NPC1 (0.52) MCL1NPC1RAB9APPARDPOLB
SCHEMBL8943610 0.94 NPC1 (0.51) MCL1NPC1RAB9APPARDPOLB
SCHEMBL13974898 0.89 IGF1R (0.55) MCL1TDP1MEN1KMT2A
SCHEMBL9303488 0.88 PPARD (0.62) NPC1RAB9APPARDPOLBAPEX1
SCHEMBL29623897 0.86 MCL1 (0.69) MCL1TP53PTPN11
SCHEMBL1576849 0.86 MCL1 (0.69) MCL1TP53PTPN11
SCHEMBL9003241 0.85 KDM4E (0.49) MCL1NPC1RAB9APPARDPOLB
SCHEMBL9305932 0.85 PPARD (0.58) NPC1RAB9APPARDPOLBAPEX1
SCHEMBL8417746 0.84 MCL1 (0.53) MCL1NPC1RAB9APPARDMAPT

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-5276001-A Color developer comprising salicylic acid derivative KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1994-01-04 US disclosed