SCHEMBL30346643

SCHEMBL30346643

CC(=O)Nc1cccc(C(=O)O)c1C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
CYP2C19 P33261 1/20 0.56
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HSD17B10 Q99714 3/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
PBRM1 Q86U86 1/20 0.46
LPAR2 Q9HBW0 1/20 0.46
LPAR3 Q9UBY5 1/20 0.46
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
PKM P14618 1/20 0.45
DHODH Q02127 1/20 0.44

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
SCHEMBL11593694 1.00 POLB (0.56) POLBCYP2C19NPC1RAB9ASMN1; SMN2
SCHEMBL9377084 0.91 POLB (0.54) POLBCYP2C19NPC1RAB9ASMN1; SMN2
SCHEMBL27634334 0.91 POLB (0.54) POLBCYP2C19NPC1RAB9ASMN1; SMN2
SCHEMBL28926278 0.86 POLB (0.50) POLBCYP2C19NPC1RAB9ASMN1; SMN2
SCHEMBL8908317 0.86 POLB (0.50) POLBCYP2C19NPC1RAB9ASMN1; SMN2
SCHEMBL9848863 0.85 NPC1 (0.62) POLBCYP2C19NPC1RAB9ASMN1; SMN2
SCHEMBL25354415 0.85 AKR1C3 (0.53) POLBCYP2C19NPC1RAB9ASMN1; SMN2
SCHEMBL9067891 0.83 DHODH (0.47) POLBNPC1RAB9AHSD17B10KDM4E
SCHEMBL29437050 0.82 POLB (0.72) POLBCYP2C19NPC1RAB9ASMN1; SMN2
SCHEMBL110042 0.82 POLB (0.72) POLBCYP2C19NPC1RAB9ASMN1; SMN2

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
CN-111499533-B Method for preparing acetamino dimethyl phthalate 扬州工业职业技术学院 2023-04-07 CN disclosed