SCHEMBL8536609

SCHEMBL8536609

CC(=O)CCC(=O)c1cccc2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.66
HPGD P15428 5/20 0.66
KDM4E B2RXH2 5/20 0.66
MAPT P10636 4/20 0.66
KMT2A Q03164 4/20 0.66
POLB P06746 3/20 0.66
MEN1 O00255 3/20 0.66
GMNN O75496 2/20 0.66
LMNA P02545 2/20 0.66
MAPK1 P28482 2/20 0.66
BLM P54132 2/20 0.66
PMP22 Q01453 2/20 0.66
NPSR1 Q6W5P4 2/20 0.66
CMKLR1 Q99788 2/20 0.66
TDP1 Q9NUW8 2/20 0.66
CYP1A2 P05177 2/20 0.66
CYP2D6 P10635 2/20 0.66
HSD17B10 Q99714 2/20 0.66
TP53 P04637 1/20 0.66
CYP3A4 P08684 1/20 0.66

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
SCHEMBL29875679 0.85 ALDH1A1 (0.70) ALDH1A1HPGDKDM4EMAPTKMT2A
SCHEMBL1716864 0.85 ALDH1A1 (0.70) ALDH1A1HPGDKDM4EMAPTKMT2A
SCHEMBL29387947 0.84 ALDH1A1 (0.63) ALDH1A1HPGDKDM4EMAPTKMT2A
SCHEMBL4707024 0.84 PTPN1 (0.62) ALDH1A1HPGDKDM4EMAPTKMT2A
SCHEMBL818033 0.84 ALDH1A1 (0.63) ALDH1A1HPGDKDM4EMAPTKMT2A
SCHEMBL6008188 0.81 ALDH1A1 (0.65) ALDH1A1HPGDKDM4EMAPTKMT2A
SCHEMBL10416279 0.81 ALDH1A1 (0.65) ALDH1A1HPGDKDM4EMAPTKMT2A
SCHEMBL29875233 0.81 ALDH1A1 (0.64) ALDH1A1HPGDKDM4EMAPTKMT2A
SCHEMBL2843776 0.81 ALDH1A1 (0.64) ALDH1A1HPGDKDM4EMAPTKMT2A
SCHEMBL10358075 0.80 ALDH1A1 (0.63) ALDH1A1HPGDKDM4EMAPTKMT2A

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