SCHEMBL9621779

SCHEMBL9621779

CC(CC=O)Sc1cccc(F)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.42
MTNR1A P48039 4/20 0.36
MTNR1B P49286 4/20 0.36
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
SLC6A9 P48067 3/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33

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
SCHEMBL9621328 0.80 EPHX1 (0.43) EPHX1MTNR1AMTNR1BSLC6A9ALDH1A1
SCHEMBL9621325 0.80 EPHX1 (0.43) EPHX1MTNR1AMTNR1BSLC6A9ALDH1A1
SCHEMBL4699950 0.79 MAOA (0.38) MTNR1AMTNR1BMAOAMAOBALDH1A1
SCHEMBL9621618 0.78 MTNR1A (0.59) MTNR1AMTNR1BALDH1A1TAAR1
SCHEMBL2669681 0.75 EPHX1 (0.47) EPHX1MAOAMAOBTAAR1
SCHEMBL7463775 0.72 EPHX1 (0.45) EPHX1MAOAMAOBSLC6A9TAAR1
SCHEMBL5388844 0.72 EPHX1 (0.45) EPHX1MAOAMAOBSLC6A9TAAR1
SCHEMBL9621581 0.71 EPHX1 (0.43) EPHX1MTNR1AMTNR1BSLC6A9ALDH1A1
SCHEMBL15944403 0.70 HPGD (0.46) ALDH1A1LMNAL3MBTL1
SCHEMBL14034696 0.69 EPHX1 (0.40) EPHX1MAOAMAOBSLC6A9ALDH1A1

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