SCHEMBL9303488

SCHEMBL9303488

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.62
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
ALDH1A1 P00352 3/20 0.53
HPGD P15428 3/20 0.53
CYP3A4 P08684 2/20 0.53
MAPK1 P28482 2/20 0.53
KMT2A Q03164 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 1/20 0.51
APP P05067 2/20 0.51
MAOB P27338 3/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
PGR P06401 1/20 0.50
CYP2D6 P10635 1/20 0.50
SLC6A2 P23975 1/20 0.50

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
SCHEMBL9305932 0.97 PPARD (0.58) PPARDNPC1RAB9AALDH1A1HPGD
SCHEMBL29378251 0.95 PPARD (0.56) PPARDNPC1RAB9AALDH1A1HPGD
SCHEMBL51025 0.95 PPARD (0.56) PPARDNPC1RAB9AALDH1A1HPGD
SCHEMBL26936 0.94 PPARD (0.55) PPARDNPC1RAB9AALDH1A1HPGD
SCHEMBL8062812 0.91 APP (0.55) PPARDNPC1RAB9AALDH1A1HPGD
SCHEMBL7761012 0.91 APP (0.55) PPARDNPC1RAB9AALDH1A1HPGD
SCHEMBL10594049 0.88 NPC1 (0.54) PPARDNPC1RAB9AALDH1A1HPGD
SCHEMBL9305419 0.88 MCL1 (0.54) PPARDNPC1RAB9AALDH1A1HPGD
SCHEMBL11454147 0.88 PPARD (0.61) PPARDALDH1A1POLBAPPMAOB
SCHEMBL7104144 0.87 NPC1 (0.53) PPARDNPC1RAB9AALDH1A1HPGD

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