SCHEMBL9621626

SCHEMBL9621626

CC(C=O)CSc1cccc(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 2/20 0.41
▸ TERT O14746 1/20 0.40
▸ GRM5 P41594 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ CHRM3 P20309 1/20 0.38
▸ PNMT P11086 1/20 0.38
▸ MAOB P27338 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ TRPM5 Q9NZQ8 2/20 0.37
▸ PTGFR P43088 1/20 0.37
▸ PTGER2 P43116 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ MTNR1A P48039 3/20 0.36

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
SCHEMBL9621744 0.80 MTNR1A (0.40) MAOATERTLMNATRPM5PTGFR
SCHEMBL9621743 0.80 MTNR1A (0.40) MAOATERTLMNATRPM5PTGFR
SCHEMBL9621740 0.80 MTNR1A (0.40) MAOATERTLMNATRPM5PTGFR
SCHEMBL6200206 0.79 MAOA (0.57) MAOAMAOBSLC6A4MTNR1AMTNR1B
SCHEMBL4392690 0.73 GRM5 (0.40) MAOAGRM5LMNAPNMTPOLB
SCHEMBL29993511 0.73 GRM5 (0.47) MAOAGRM5PNMTMAOBPOLB
SCHEMBL711648 0.73 GRM5 (0.47) MAOAGRM5PNMTMAOBPOLB
SCHEMBL5543812 0.71 MAOB (0.40) MAOATERTGRM5LMNAMAOB
SCHEMBL27864550 0.71 PNMT (0.62) CHRM2CHRM1CHRM3PNMTMAPT
SCHEMBL7867405 0.71 EPHX1 (0.40) MAOAGRM5LMNAMAOBPOLB

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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