SCHEMBL9469043

SCHEMBL9469043

CCC(C(=O)O)n1nnnc1-c1c(O)ccc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 3/20 0.37
HPGD P15428 3/20 0.37
GAA P10253 2/20 0.37
GLA P06280 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CMA1 P23946 1/20 0.37
ALOX5 P09917 1/20 0.36
TP53 P04637 1/20 0.36
AKR1B1 P15121 2/20 0.36
PTGS2 P35354 2/20 0.36
NSD2 O96028 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
HKDC1 Q2TB90 1/20 0.36
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL9468974 0.85 MAPT (0.45) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL1229759 0.74 HTR2C (0.43) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL1647137 0.70 KCNN4 (0.42) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL18839845 0.69 HCAR3 (0.40) MAPTKMT2AMEN1ALDH1A1KDM4E
Acetic Acid SCHEMBL28608130 0.67 MAPT (0.56) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL9469693 0.67 KDM4E (0.46) MAPTKMT2AALDH1A1KDM4EHPGD
SCHEMBL9618797 0.66 MAPT (0.54) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL1236135 0.65 TP53 (0.35) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL828870 0.65 HCAR3 (0.39) MAPTALDH1A1KDM4EHPGDGAA
SCHEMBL874198 0.64 ALDH1A1 (0.61) MAPTKMT2AMEN1ALDH1A1KDM4E

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
US-5252592-A Tetrazoleacetic acid derivatives having aldose reductase inhibitory activity WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 1993-10-12 US disclosed
EP-0495526-A1 Tetrazoleacetic acid derivatives having aldose reductase inhibitory activity Wakamoto Pharmaceutical Co., Ltd. (JP) 1992-07-22 EP disclosed