SCHEMBL8535841

SCHEMBL8535841

C=Cc1ccc(C(=O)CCC(C)=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
KDM4E B2RXH2 2/20 0.49
HPGD P15428 2/20 0.49
TAS1R3 Q7RTX0 2/20 0.44
TAS1R1 Q7RTX1 2/20 0.44
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 4/20 0.41
HSD17B3 P37058 3/20 0.40
USP5 P45974 1/20 0.40
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
NR4A2 P43354 1/20 0.38
FFAR1 O14842 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
HIF1A Q16665 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
ABL1 P00519 1/20 0.37

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 0.84 SMN1; SMN2 (0.62) SMN1; SMN2KDM4EHPGDKMT2AALDH1A1
SCHEMBL4904631 0.83 HSD17B3 (0.60) SMN1; SMN2HPGDTAS1R3TAS1R1ALDH1A1
SCHEMBL8533739 0.83 ALDH1A1 (0.50) SMN1; SMN2KDM4EHPGDKMT2AALDH1A1
SCHEMBL907469 0.83 TAS1R3 (0.49) SMN1; SMN2KDM4EHPGDTAS1R3TAS1R1
SCHEMBL8384454 0.80 HSD17B3 (0.62) TAS1R3TAS1R1HSD17B3L3MBTL1RAB9A
SCHEMBL13980018 0.79 TAS1R3 (0.42) SMN1; SMN2KDM4EHPGDTAS1R3TAS1R1
SCHEMBL4902510 0.79 HSD17B3 (0.64) TAS1R3TAS1R1HSD17B3L3MBTL1HTR7
SCHEMBL1681792 0.79 SMN1; SMN2 (0.46) SMN1; SMN2KDM4EHPGDKMT2AALDH1A1
SCHEMBL4902566 0.79 SMN1; SMN2 (0.52) SMN1; SMN2KDM4EHPGDTAS1R3TAS1R1
SCHEMBL8536042 0.79 SMN1; SMN2 (0.53) SMN1; SMN2KDM4EHPGDKMT2AALDH1A1

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