SCHEMBL23675461

SCHEMBL23675461

NC(=O)CCc1ccccc1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44
TSHR P16473 2/20 0.42
PTGER1 P34995 2/20 0.42
PTGER4 P35408 2/20 0.42
PTGER3 P43115 2/20 0.42
PTGER2 P43116 2/20 0.42
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PRKCZ Q05513 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
MAPT P10636 2/20 0.40
HTR7 P34969 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
FBP1 P09467 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
PTGDR2 Q9Y5Y4 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
SCHEMBL17891560 0.87 PTGER4 (0.56) POLBMAPK1PTGER1PTGER4PTGER3
SCHEMBL6206188 0.81 PTGER4 (0.58) PTGER1PTGER4PTGER3PTGER2CYP2C19
SCHEMBL29141195 0.80 POLB (0.49) POLBMAPK1TSHRALDH1A1CES2
SCHEMBL6188684 0.79 FFAR1 (0.50) PTGER1PTGER4PTGER3PTGER2ALDH1A1
SCHEMBL9194437 0.79 DPP4 (0.58) POLBMAPK1ALDH1A1CES1MAPT
SCHEMBL19616161 0.78 PTGDR2 (0.46) POLBMAPK1PRKCZCES2CES1
SCHEMBL5827236 0.77 ALDH1A1 (0.47) POLBMAPK1TSHRALDH1A1CES1
SCHEMBL29383344 0.77 ALDH1A1 (0.55) TSHRALDH1A1SMN1; SMN2MAPTCYP2C19
SCHEMBL151684 0.77 ALDH1A1 (0.55) TSHRALDH1A1SMN1; SMN2MAPTCYP2C19
SCHEMBL11994149 0.77 MAPT (0.44) TSHRALDH1A1MAPTHTR7KMT2A

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
WO-2021151104-A1 SALICYLAMIDE DERIVATIVES AND RELATED METHODS OF MAKING THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-07-29 WO disclosed