SCHEMBL9621743

SCHEMBL9621743

CC(=O)C=CC(C)CSc1cccc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 6/20 0.40
▸ MTNR1B P49286 6/20 0.40
▸ LMNA P02545 1/20 0.39
▸ TRPM5 Q9NZQ8 2/20 0.38
▸ TERT O14746 1/20 0.38
▸ PTGFR P43088 1/20 0.38
▸ PTGER2 P43116 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ HPGD P15428 1/20 0.36
▸ CTSK P43235 1/20 0.35
▸ SLC6A9 P48067 1/20 0.35
▸ CTSL P07711 1/20 0.35
▸ MAOA P21397 1/20 0.35

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
SCHEMBL9621740 1.00 MTNR1A (0.40) MTNR1AMTNR1BLMNATRPM5TERT
SCHEMBL9621744 1.00 MTNR1A (0.40) MTNR1AMTNR1BLMNATRPM5TERT
SCHEMBL9621626 0.80 MAOA (0.41) MTNR1AMTNR1BLMNATRPM5TERT
SCHEMBL15944395 0.76 HPGD (0.43) MTNR1AMTNR1BMAPK1HPGD
SCHEMBL9621487 0.74 MTNR1A (0.38) MTNR1AMTNR1BLMNAMAPTMAPK1
SCHEMBL9621484 0.74 MTNR1A (0.38) MTNR1AMTNR1BLMNAMAPTMAPK1
SCHEMBL9621729 0.73 MTNR1A (0.42) MTNR1AMTNR1BLMNATRPM5PTGFR
SCHEMBL5271319 0.71 MAPT (0.49) TRPM5MAPTMAPK1HTTCTSK
SCHEMBL9621494 0.71 PPARD (0.42) MTNR1AMTNR1BCTSL
SCHEMBL9621496 0.71 PPARD (0.42) MTNR1AMTNR1BCTSL

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
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