SCHEMBL9621752

SCHEMBL9621752

CC(=O)C=CCCSc1cccc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 3/20 0.47
GAA P10253 3/20 0.46
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 2/20 0.45
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
CES2 O00748 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
SCHEMBL9621750 1.00 KDM4E (0.48) KDM4EALDH1A1GAAATML3MBTL1
SCHEMBL9621469 0.83 PPARD (0.39) ALDH1A1CES2
SCHEMBL9621466 0.83 PPARD (0.39) ALDH1A1CES2
SCHEMBL9621723 0.79 KDM4E (0.49) KDM4EALDH1A1GAAATML3MBTL1
SCHEMBL14234830 0.78 MTNR1A (0.51) ALDH1A1MEN1KMT2A
SCHEMBL9621480 0.77 MTNR1A (0.60) ALDH1A1L3MBTL1KMT2A
SCHEMBL9621479 0.77 MTNR1A (0.60) ALDH1A1L3MBTL1KMT2A
SCHEMBL9689196 0.77 TAAR1 (0.50) KDM4EL3MBTL1MAPTMEN1KMT2A
SCHEMBL9689194 0.77 TAAR1 (0.50) KDM4EL3MBTL1MAPTMEN1KMT2A
SCHEMBL16220582 0.76 KDM4E (0.63) KDM4EALDH1A1GAAATML3MBTL1

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