SCHEMBL9621311

SCHEMBL9621311

CC(=O)CC(O)CCSc1cccc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 2/20 0.46
GAA P10253 3/20 0.45
POLB P06746 2/20 0.44
PTGER1 P34995 1/20 0.43
PTGFR P43088 1/20 0.43
MAPT P10636 2/20 0.41
EPHX1 P07099 2/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL9621727 0.84 HRH3 (0.38) ALDH1A1MAPT
SCHEMBL9621570 0.79 MTNR1A (0.60) L3MBTL1
SCHEMBL16220582 0.78 KDM4E (0.63) ATML3MBTL1KDM4EALDH1A1GAA
SCHEMBL9621336 0.74 RBP4 (0.35) ALDH1A1POLB
SCHEMBL12276383 0.74 KDM4E (0.55) ATML3MBTL1KDM4EALDH1A1GAA
SCHEMBL7993146 0.73 PTGER1 (0.51) ATML3MBTL1KDM4EALDH1A1GAA
SCHEMBL9621750 0.73 KDM4E (0.48) ATML3MBTL1KDM4EALDH1A1GAA
SCHEMBL9621752 0.73 KDM4E (0.48) ATML3MBTL1KDM4EALDH1A1GAA
SCHEMBL12879674 0.73 GAA (0.52) ATML3MBTL1KDM4EALDH1A1GAA
SCHEMBL5276806 0.72 GAA (0.50) ATML3MBTL1KDM4EALDH1A1GAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0323915-B1 BETA-HYDROXYKETONE AND ITS PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-04-08 EP disclosed
US-5101076-A β-hydroxyketone and its production SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-03-31 US disclosed
US-5041679-A Beta-hydroxyketone and its production SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-08-20 US disclosed
EP-0323915-A1 Beta-hydroxyketone and its production SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-07-12 EP disclosed