SCHEMBL25043983

SCHEMBL25043983

CN1CC(=O)NC(C(=O)O)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAD P27708 2/20 0.40
HTT P42858 1/20 0.36
ITGB3 P05106 1/20 0.34
ITGB2 P05107 1/20 0.34
ITGB1 P05556 1/20 0.34
ITGAV P06756 1/20 0.34
ITGA2B P08514 1/20 0.34
ITGA5 P08648 1/20 0.34
ITGB5 P18084 1/20 0.34
ITGAL P20701 1/20 0.34
TSHR P16473 2/20 0.34
CYP2D6 P10635 2/20 0.33
LMNA P02545 2/20 0.33
BLM P54132 2/20 0.33
ALOX15 P16050 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL24928556 1.00 CAD (0.40) CADHTTITGB3ITGB2ITGB1
SCHEMBL23260109 1.00 CAD (0.40) CADHTTITGB3ITGB2ITGB1
SCHEMBL13435368 0.85 ITGB3 (0.31) ITGB3ITGB2ITGB1ITGAVITGA2B
SCHEMBL12572124 0.85 ITGB3 (0.31) ITGB3ITGB2ITGB1ITGAVITGA2B
SCHEMBL13435367 0.85 ITGB3 (0.31) ITGB3ITGB2ITGB1ITGAVITGA2B
SCHEMBL12236182 0.83 APEX1 (0.33) BLM
SCHEMBL26090765 0.77 CAD (0.40) CADHTTITGB3ITGB2ITGB1
SCHEMBL26090759 0.77 CAD (0.40) CADHTTITGB3ITGB2ITGB1
SCHEMBL26205048 0.77 MAPT (0.39) CADHTTTSHRCYP2D6LMNA
SCHEMBL13611121 0.75 PRKCA (0.40) LMNA

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
WO-2023168367-A1 QUINOLINE cGAS ANTAGONIST COMPOUNDS IMMUNESENSOR THERAPEUTICS, INC. (US) 2023-09-07 WO disclosed
WO-2023016521-A1 SUBSTITUTED TRIAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF 上海赛默罗生物科技有限公司 2023-02-16 WO disclosed