SCHEMBL8696247

SCHEMBL8696247

Nc1ccc(CC(S)[C]=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GFER P55789 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ LOXL2 Q9Y4K0 1/20 0.39
▸ MAOB P27338 4/20 0.35
▸ MAOA P21397 2/20 0.35
▸ SOAT1 P35610 1/20 0.35
▸ RECQL P46063 1/20 0.34
▸ FDPS P14324 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ DPP4 P27487 2/20 0.33
▸ DPP8 Q6V1X1 1/20 0.33
▸ DPP9 Q86TI2 1/20 0.33
▸ DPP7 Q9UHL4 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 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
SCHEMBL7512121 0.78 CYP1A2 (0.45) MAOAANPEP
SCHEMBL2269387 0.77 GFER (0.42) GFERALDH1A1CYP3A4TSHRTDP1
SCHEMBL242930 0.77 GFER (0.42) GFERALDH1A1CYP3A4TSHRTDP1
SCHEMBL242929 0.77 GFER (0.42) GFERALDH1A1CYP3A4TSHRTDP1
SCHEMBL8696253 0.75 TSHR (0.41) GFERALDH1A1CYP3A4TSHRTDP1
SCHEMBL11847632 0.73 GFER (0.48) GFERALDH1A1CYP3A4TSHRTDP1
SCHEMBL7794645 0.71 LOXL2 (0.40) GFERALDH1A1CYP3A4TSHRTDP1
SCHEMBL18789242 0.69 ALDH1A1 (0.55) GFERALDH1A1CYP3A4TSHRTDP1
SCHEMBL10954821 0.69 MAPT (0.40) GFERALDH1A1CYP3A4TSHRTDP1
SCHEMBL1048212 0.67 ALDH1A1 (0.52) GFERALDH1A1CYP3A4TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5741781-A NEUTRAL ENDOPEPTIDASE AND ANGIOTENSIN CONVERTING ENZYME INHIBITORS, HYPOTENSIVE AGENTS ADIR ET COMPAGNIE (FR) 1998-04-21 — — US disclosed
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