SCHEMBL8158299

SCHEMBL8158299

Cc1ccc(C(=O)O[C@@H]2C(=O)OC(=O)[C@H]2O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
SCN1A P35498 1/20 0.43
SCN2A Q99250 1/20 0.43
SCN3A Q9NY46 1/20 0.43
MAPT P10636 4/20 0.41
KMT2A Q03164 3/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LGALS9 O00182 1/20 0.41
LGALS1 P09382 1/20 0.41
LGALS3 P17931 1/20 0.41
RAB9A P51151 4/20 0.39
ALDH1A1 P00352 3/20 0.39
NPC1 O15118 2/20 0.39
GAA P10253 2/20 0.38
S100A4 P26447 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL5800186 1.00 TDP1 (0.44) TDP1SCN1ASCN2ASCN3AMAPT
SCHEMBL2969544 0.90 TDP1 (0.50) TDP1SCN1ASCN2ASCN3AMAPT
SCHEMBL5692175 0.90 TDP1 (0.50) TDP1SCN1ASCN2ASCN3AMAPT
SCHEMBL8458023 0.90 TDP1 (0.50) TDP1SCN1ASCN2ASCN3AMAPT
SCHEMBL8461979 0.73 RAB9A (0.42) MAPTKMT2ASMN1; SMN2RAB9AALDH1A1
SCHEMBL8462393 0.73 RAB9A (0.42) MAPTKMT2ASMN1; SMN2RAB9AALDH1A1
SCHEMBL1751897 0.73 LMNA (0.48) TDP1MAPTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL636837 0.73 LMNA (0.48) TDP1MAPTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL637664 0.73 LMNA (0.48) TDP1MAPTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL15457672 0.72 POLB (0.37) POLB

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
JP-2000319244-A OPTICALLY ACTIVE AMINO ACID ESTER TARTARIC ACID AMIDE AND ITS PRODUCTION TORAY IND INC 2000-11-21 JP disclosed