SCHEMBL9497964

SCHEMBL9497964

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

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.55
HTT P42858 1/20 0.55
LMNA P02545 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
TSHR P16473 1/20 0.53
CA12 O43570 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
GBA1 P04062 1/20 0.51
ALOX15 P16050 1/20 0.51
MBTD1 Q05BQ5 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
RAB9A P51151 1/20 0.51
SLC1A3 P43003 1/20 0.50
SLC1A2 P43004 1/20 0.50
SLC1A1 P43005 1/20 0.50
TBXAS1 P24557 1/20 0.50

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
SCHEMBL3449699 1.00 ALDH1A1 (0.55) ALDH1A1HTTLMNANPSR1TSHR
SCHEMBL3730989 1.00 ALDH1A1 (0.55) ALDH1A1HTTLMNANPSR1TSHR
Hydrochloric Acid SCHEMBL4438846 0.99 ALDH1A1 (0.54) ALDH1A1HTTLMNANPSR1TSHR
SCHEMBL4432223 0.96 ALDH1A1 (0.56) ALDH1A1HTTLMNANPSR1TSHR
SCHEMBL7762828 0.92 ALDH1A1 (0.48) ALDH1A1HTTLMNANPSR1TSHR
Hydrochloric Acid SCHEMBL11261063 0.91 ALDH1A1 (0.47) ALDH1A1HTTLMNANPSR1TSHR
SCHEMBL8023841 0.90 GBA1 (0.55) ALDH1A1HTTLMNANPSR1CA12
Hydrochloric Acid SCHEMBL8567005 0.89 GBA1 (0.54) ALDH1A1HTTLMNANPSR1CA12
SCHEMBL3448866 0.87 ALDH1A1 (0.63) ALDH1A1LMNATSHRGBA1SLC1A3
SCHEMBL14615873 0.87 ALDH1A1 (0.63) ALDH1A1LMNATSHRGBA1SLC1A3

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-0313969-B1 TRIPEPTIDE DERIVATIVES AND ANTIPLASMIN AGENTS CONTAINING THE SAME NITTO BOSEKI CO., LTD. (JP) 1993-03-24 EP disclosed
US-5153176-A Substituted lysine-proline-arginine peptide NITTO BOSEKI CO., LTD. (JP) 1992-10-06 US disclosed
US-4883863-A FROM LYSINE OR TYROSINE, PHENYLALANINE AND LYSINE, HEMOSTATIC AGENTS NITTO BOSEKI CO., LTD. (JP) 1989-11-28 US disclosed
EP-0313969-A2 Tripeptide derivatives and antiplasmin agents containing the same NITTO BOSEKI CO., LTD. (JP) 1989-05-03 EP disclosed