SCHEMBL637383

SCHEMBL637383

CC(N)(C(=O)O)c1ccco1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
POLB P06746 3/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 5/20 0.39
CYP1A2 P05177 3/20 0.39
PTPN1 P18031 2/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
PKM P14618 1/20 0.37
PTPN7 P35236 1/20 0.37
BLM P54132 1/20 0.37
ESR2 Q92731 1/20 0.37
CYP2D6 P10635 3/20 0.36
PTGS1 P23219 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36

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
SCHEMBL3513098 1.00 MAPT (0.42) MAPTPOLBKMT2AMEN1KDM4E
SCHEMBL27964089 0.80 MAPT (0.44) MAPTPOLBKMT2AMEN1KDM4E
SCHEMBL28529969 0.80 KMT2A (0.46) MAPTPOLBKMT2AMEN1KDM4E
SCHEMBL9402238 0.80 MAPT (0.44) MAPTPOLBKMT2AMEN1KDM4E
SCHEMBL5041397 0.78 MAPT (0.43) MAPTPOLBKMT2AMEN1KDM4E
Hydrochloric Acid SCHEMBL9402285 0.78 MAPT (0.43) MAPTPOLBKMT2AMEN1KDM4E
Bicarbonate SCHEMBL28968865 0.76 MAPT (0.49) MAPTPOLBKMT2AMEN1KDM4E
SCHEMBL9442571 0.75
SCHEMBL29175499 0.74
SCHEMBL5775892 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113788877-A Novel insect kinin analogs and application thereof in aphid control 中国农业大学 2021-12-14 CN claimed
CN-113788877-A Novel insect kinin analogs and application thereof in aphid control 中国农业大学 2021-12-14 CN disclosed
US-8119364-B2 Methods for generating analogs of coenzyme A THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-02-21 US disclosed
US-20100304430-A1 Methods for Generating Analogs of Coenzyme A THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-12-02 US disclosed
US-7727738-B2 Methods for generating analogs of coenzyme A THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-06-01 US disclosed
US-20070128683-A1 Metabolic delivery of coenzyme A analogs NATIONAL SCIENCE FOUNDATION 2007-06-07 US disclosed