SCHEMBL10403464

SCHEMBL10403464

Cc1cc(C)c(S(=O)(=O)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)O)c(C)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ POLB P06746 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ ACE P12821 8/20 0.45
▸ LMNA P02545 2/20 0.45
▸ REN P00797 4/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ F2 P00734 1/20 0.44
▸ LTA4H P09960 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ PEPD P12955 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ PTGS1 P23219 1/20 0.44
▸ HTR2A P28223 1/20 0.44
▸ PTGS2 P35354 1/20 0.44
▸ HRH1 P35367 1/20 0.44
▸ THPO P40225 1/20 0.44
▸ PMP22 Q01453 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44

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
SCHEMBL10403618 0.83 POLB (0.77) SMN1; SMN2POLBACELMNAREN
SCHEMBL10404111 0.80 SMN1; SMN2 (0.64) SMN1; SMN2POLBACELMNAREN
SCHEMBL10404152 0.76 SMN1; SMN2 (0.52) SMN1; SMN2POLBACELMNAREN
SCHEMBL11429878 0.76 POLB (0.62) SMN1; SMN2POLBACELMNA
SCHEMBL10404199 0.76 SMN1; SMN2 (0.52) SMN1; SMN2POLBACELMNALTA4H
SCHEMBL10402349 0.75 ACE (0.56) SMN1; SMN2POLBACELMNAREN
SCHEMBL11426920 0.75 POLB (0.61) SMN1; SMN2POLBACELMNAREN
SCHEMBL11427504 0.75 POLB (0.61) SMN1; SMN2POLBALDH1A1ACELMNA
SCHEMBL10402340 0.74 ACE (0.55) SMN1; SMN2POLBACELMNAREN
Potassium SCHEMBL10402343 0.74 ACE (0.55) SMN1; SMN2POLBACELMNAREN

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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