SCHEMBL10403618

SCHEMBL10403618

Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)O)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.77
▸ SMN1; SMN2 Q16637 1/20 0.77
▸ HSD17B10 Q99714 2/20 0.53
▸ TSHR P16473 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ ACE P12821 6/20 0.48
▸ LMNA P02545 2/20 0.48
▸ CA2 P00918 3/20 0.46
▸ ALOX5 P09917 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.45
▸ REN P00797 2/20 0.45
▸ F2 P00734 1/20 0.45
▸ LTA4H P09960 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ PEPD P12955 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ PTGS1 P23219 1/20 0.45
▸ HTR2A P28223 1/20 0.45
▸ PTGS2 P35354 1/20 0.45
▸ HRH1 P35367 1/20 0.45

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
SCHEMBL10404111 0.91 SMN1; SMN2 (0.64) POLBSMN1; SMN2HSD17B10ACELMNA
SCHEMBL11429878 0.88 POLB (0.62) POLBSMN1; SMN2ACELMNA
SCHEMBL11426920 0.87 POLB (0.61) POLBSMN1; SMN2HSD17B10ACELMNA
SCHEMBL11427504 0.87 POLB (0.61) POLBSMN1; SMN2TSHRACELMNA
Water SCHEMBL11499705 0.86 POLB (0.60) POLBSMN1; SMN2HSD17B10ACELMNA
Water SCHEMBL11499395 0.86 POLB (0.60) POLBSMN1; SMN2TSHRACELMNA
SCHEMBL11518887 0.86 SMN1; SMN2 (0.60) POLBSMN1; SMN2HSD17B10TSHRHTT
SCHEMBL11429868 0.85 TSHR (0.64) POLBSMN1; SMN2HSD17B10TSHRHTT
Water SCHEMBL11435614 0.84 TSHR (0.63) POLBSMN1; SMN2HSD17B10TSHRHTT
SCHEMBL10403464 0.83 SMN1; SMN2 (0.56) POLBSMN1; SMN2HSD17B10ACELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4971993-A HYPOTENSIVE DIPEPTIDES DERIVATIVES AJINOMOTO CO., INC. (JP) 1990-11-20 — — US claimed
US-4187216-A ELASTASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 1980-02-05 — — US claimed
US-4971993-A HYPOTENSIVE DIPEPTIDES DERIVATIVES AJINOMOTO CO., INC. (JP) 1990-11-20 — — US disclosed
EP-0190852-A2 Dipeptide derivatives and antihypertensive drugs containing them AJINOMOTO CO., INC. (JP) 1986-08-13 — — EP disclosed
US-4187216-A ELASTASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 1980-02-05 — — US disclosed
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