SCHEMBL29637876

SCHEMBL29637876

CCc1c(C(=O)O)c(C(=O)NO)cc(C(=O)NO)c1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 2/20 0.38
HDAC8 Q9BY41 4/20 0.37
HDAC7 Q8WUI4 3/20 0.36
HIF1A Q16665 2/20 0.33
NCOR2 Q9Y618 2/20 0.33
USP2 O75604 1/20 0.33
PRNP P04156 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
PPARG P37231 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
NR2E3 Q9Y5X4 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HDAC6 Q9UBN7 4/20 0.33
HSD17B10 Q99714 3/20 0.32
HDAC1 Q13547 3/20 0.32

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
SCHEMBL7920487 0.82 GABRP (0.40) HIF1ANCOR2PRNPCYP1A2CYP2C9
SCHEMBL11271660 0.73 HSD17B10 (0.34) KDM4ESMN1; SMN2HSD17B10LDHALDHB
SCHEMBL7766728 0.73 HDAC8 (0.31) HDAC8
SCHEMBL8573447 0.72 ALDH1A1 (0.39) HIF1ANCOR2PRNPCYP1A2CYP2C9
SCHEMBL1009054 0.72 ALDH1A1 (0.39) HIF1ANCOR2PRNPCYP1A2CYP2C9
SCHEMBL27698661 0.71 MPO (0.43) MPOHDAC8HDAC7HIF1ANCOR2
SCHEMBL8601424 0.71 MPO (0.43) MPOHDAC8HDAC7HIF1ANCOR2
SCHEMBL8601417 0.71 MPO (0.43) MPOHDAC8HDAC7HIF1ANCOR2
SCHEMBL8632929 0.71 MPO (0.43) MPOHDAC8HDAC7HIF1ANCOR2
SCHEMBL8675993 0.70 HSD17B10 (0.33) HSD17B10GABRPGABRDGABRA1GABRB1

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-110591063-B Modified polyethylene naphthalate containing imide structure and preparation method thereof 沈阳建筑大学 2022-06-07 CN disclosed