SCHEMBL8758002

SCHEMBL8758002

NC1=CC=CC(N)(C(=O)C(O)c2ccccc2)C1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.41
MAPK1 P28482 1/20 0.41
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
HPGD P15428 1/20 0.35
GAA P10253 1/20 0.32
ALDH1A1 P00352 2/20 0.31
CPN1 P15169 1/20 0.31
CPB2 Q96IY4 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NR1I2 O75469 1/20 0.31
ABCB11 O95342 1/20 0.31
SRC P12931 2/20 0.31
CYP2D6 P10635 1/20 0.31
BCAT2 O15382 1/20 0.30
KMT2A Q03164 1/20 0.30
CTSD P07339 1/20 0.30

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
SCHEMBL28506792 0.77 LMNA (0.35) LMNAMAPK1CES2CES1HPGD
SCHEMBL10778668 0.77 LMNA (0.41) LMNAMAPK1CES2CES1HPGD
SCHEMBL10435053 0.72 LMNA (0.40) LMNAMAPK1CES2CES1HPGD
SCHEMBL11035892 0.71 LMNA (0.41) LMNAMAPK1CES2CES1HPGD
SCHEMBL28864451 0.70 MAOA (0.31)
SCHEMBL23501715 0.65 LMNA (0.41) LMNAMAPK1CES2CES1HPGD
Mandelic Acid SCHEMBL388004 0.64 LMNA (0.62) LMNAMAPK1CES2CES1HPGD
Mandelic Acid SCHEMBL30437233 0.64 LMNA (0.62) LMNAMAPK1CES2CES1HPGD
Mandelic Acid SCHEMBL30015054 0.64 LMNA (0.62) LMNAMAPK1CES2CES1HPGD
SCHEMBL4026125 0.61 LMNA (0.65) LMNAMAPK1CES2CES1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3658616-A1 HALOGEN-FREE SULPHONIC ACID ESTER AND/OR SULPHINIC ACID ESTER AS FLAME RETARDANT, FLAME RETARDANT SYNERGISTS AND RADICAL GENERATORS IN PLASTICS Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2020-06-03 EP claimed
EP-0770638-A1 Polyimide compositions for electrodeposition and coatings formed of the same PI MATERIAL RESEARCH LABORATORY (JP) 1997-05-02 EP disclosed