SCHEMBL9723928

SCHEMBL9723928

CCCC(=O)c1c[nH]c2c(C(=O)OC)cccc2c1=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLEC4M Q9H2X3 1/20 0.64
ALDH1A1 P00352 5/20 0.56
KDM4E B2RXH2 3/20 0.56
HPGD P15428 3/20 0.56
HSD17B10 Q99714 2/20 0.56
LMNA P02545 1/20 0.56
MAPT P10636 1/20 0.56
HTT P42858 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
NR4A2 P43354 3/20 0.52
GABRA1 P14867 3/20 0.51
GABRB2 P47870 3/20 0.51
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
PIM1 P11309 1/20 0.46
PIM3 Q86V86 1/20 0.46
CREBBP Q92793 1/20 0.46
MAP2K1 Q02750 1/20 0.43
TSHR P16473 1/20 0.43
POLB P06746 2/20 0.43

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
SCHEMBL9506564 0.85 CLEC4M (0.58) CLEC4MALDH1A1KDM4EHPGDLMNA
SCHEMBL9650974 0.83 ALDH1A1 (0.71) CLEC4MALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9653780 0.81 BRPF1 (0.57) CLEC4MALDH1A1KDM4EHPGDLMNA
SCHEMBL9506409 0.80 RAB9A (0.55) CLEC4MKDM4EGABRA1GABRB2RAB9A
SCHEMBL9272137 0.77 GABRA1 (0.51) CLEC4MALDH1A1KDM4EHPGDLMNA
SCHEMBL9652921 0.77 ALDH1A1 (0.65) CLEC4MALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9271308 0.76 MAPT (0.61) CLEC4MALDH1A1KDM4EHPGDLMNA
SCHEMBL9265791 0.76 ALDH1A1 (0.53) CLEC4MALDH1A1KDM4EHPGDLMNA
SCHEMBL17798752 0.75 NR4A2 (0.68) CLEC4MALDH1A1KDM4EHPGDHSD17B10
SCHEMBL14486971 0.74 NR4A2 (0.62) CLEC4MALDH1A1KDM4EHPGDHSD17B10

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-5089498-A Gastrointestinal disorders SMITHKLINE BECKMAN INTERCREDIT B.V. (NL) 1992-02-18 US disclosed
EP-0339768-A1 4-Amino-3-acylquinoline derivatives, and their use as inhibitors of gastric secretion SMITHKLINE BECKMAN INTERCREDIT B.V. (NL) 1989-11-02 EP disclosed