SCHEMBL8533892

SCHEMBL8533892

CC(=O)CCC(=O)c1ccc(C(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.55
HPGD P15428 2/20 0.55
KDM4E B2RXH2 1/20 0.55
KMT2A Q03164 2/20 0.53
TP53 P04637 1/20 0.52
TSHR P16473 1/20 0.52
USP5 P45974 1/20 0.48
ALDH1A1 P00352 4/20 0.48
NR4A2 P43354 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
FFAR1 O14842 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
RAB9A P51151 1/20 0.47
HIF1A Q16665 1/20 0.47
SRD5A2 P31213 3/20 0.46
HSD17B3 P37058 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 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
SCHEMBL11686001 0.91 SMN1; SMN2 (0.62) SMN1; SMN2HPGDKDM4EKMT2AUSP5
SCHEMBL28594420 0.89 TSHR (0.67) SMN1; SMN2KMT2ATP53TSHRUSP5
SCHEMBL822901 0.84 NR4A2 (0.68) SMN1; SMN2HPGDKDM4EKMT2AALDH1A1
SCHEMBL3141694 0.84 SMN1; SMN2 (0.56) SMN1; SMN2HPGDKDM4EKMT2AUSP5
SCHEMBL822848 0.83 KMT2A (0.70) SMN1; SMN2HPGDKDM4EKMT2ATP53
SCHEMBL8532385 0.83 HSD17B3 (0.67) SMN1; SMN2HPGDKDM4EKMT2AALDH1A1
SCHEMBL4489664 0.82 NR4A2 (0.71) SMN1; SMN2HPGDKDM4EKMT2ATP53
SCHEMBL8206307 0.82 NR4A2 (0.71) SMN1; SMN2HPGDKMT2ATP53TSHR
SCHEMBL8534650 0.82 SMN1; SMN2 (0.72) SMN1; SMN2HPGDKDM4EKMT2AALDH1A1
SCHEMBL2632728 0.82 SMN1; SMN2 (0.72) SMN1; SMN2HPGDKDM4EKMT2AALDH1A1

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
EP-0885869-A1 THERAPEUTIC AGENT FOR DIABETES Japan Tobacco Inc. (JP) 1998-12-23 EP disclosed