SCHEMBL8900844

SCHEMBL8900844

CCCNc1ccc(C(=O)OC)c(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.52
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HPGD P15428 2/20 0.47
LMNA P02545 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
POLB P06746 2/20 0.47
EGFR P00533 4/20 0.46
MCHR1 Q99705 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
PNLIP P16233 1/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
HIF1A Q16665 1/20 0.41
GAA P10253 1/20 0.41
NOX4 Q9NPH5 1/20 0.41

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
SCHEMBL6110454 0.88 TDP1 (0.55) TDP1ALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL1165204 0.87 TDP1 (0.48) TDP1ALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL28552805 0.85 KMT2A (0.45) ALDH1A1KDM4ESMN1; SMN2HPGDLMNA
SCHEMBL18930912 0.82 AVPR2 (0.49) TDP1ALDH1A1SMN1; SMN2LMNAL3MBTL1
SCHEMBL4239469 0.79 TDP1 (0.57) TDP1ALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL21412711 0.79 PPARG (0.57) ALDH1A1KDM4EHPGDPOLBHDAC3
SCHEMBL14337887 0.79 TDP1 (0.47) TDP1ALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL6107860 0.79 TDP1 (0.51) TDP1ALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL8900742 0.79 TDP1 (0.59) TDP1ALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL3821707 0.79 MAPT (0.53) TDP1ALDH1A1KDM4ESMN1; SMN2LMNA

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-5686482-A DOPAMINE RECEPTOR ANTAGONIST YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1997-11-11 US disclosed
EP-0757985-A1 N-(3-PYRROLIDINYL)BENZAMIDE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1997-02-12 EP disclosed