SCHEMBL23086263

SCHEMBL23086263

COc1ccc(Oc2cc(C(=O)OC(C)C)c([N+](=O)[O-])cc2C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 5/20 0.41
KMT2A Q03164 3/20 0.41
MAPK1 P28482 3/20 0.41
MEN1 O00255 2/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
NPSR1 Q6W5P4 2/20 0.41
HTT P42858 1/20 0.41
POLB P06746 1/20 0.40
HPGD P15428 3/20 0.40
PAX8 Q06710 2/20 0.40
LMNA P02545 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 1/20 0.40
RAF1 P04049 1/20 0.39
GFER P55789 1/20 0.39
ALOX5 P09917 1/20 0.39

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
SCHEMBL22966186 0.91 HSPB1 (0.47) MAPTCRHBPCRHR2TDP1ALDH1A1
SCHEMBL22966261 0.90 SMN1; SMN2 (0.43) MAPTCRHBPCRHR2TDP1ALDH1A1
SCHEMBL22966278 0.90 SMN1; SMN2 (0.42) MAPTCRHBPCRHR2TDP1ALDH1A1
SCHEMBL22966233 0.90 TDP1 (0.48) MAPTCRHBPCRHR2TDP1ALDH1A1
SCHEMBL1679943 0.89 KMT2A (0.40) MAPTCRHBPCRHR2TDP1ALDH1A1
SCHEMBL28701917 0.87 MERTK (0.48) MAPTCRHBPCRHR2TDP1ALDH1A1
SCHEMBL22966220 0.85 L3MBTL1 (0.51) CRHBPCRHR2TDP1ALDH1A1SMN1; SMN2
SCHEMBL22966235 0.82 MAPT (0.46) MAPTCRHBPCRHR2TDP1ALDH1A1
SCHEMBL22966231 0.82 MAPT (0.43) MAPTCRHBPCRHR2TDP1ALDH1A1
SCHEMBL23086255 0.81 KDM4E (0.42) MAPTTDP1ALDH1A1KMT2AMEN1

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
EP-3790864-A1 QUINOLINE DERIVATIVES AND PREPARATION METHODS AND USES THEREOF Dongguan Hec Pesticides R&D Co., Ltd. (CN) 2021-03-17 EP disclosed