SCHEMBL7684926

SCHEMBL7684926

Cc1cc(C(C)(C)C)cc(C)c1Sc1nnnn1CC(=O)C(CC(=O)O)NC(=O)SCc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 10/20 0.37
CASP8 Q14790 7/20 0.37
CASP1 P29466 4/20 0.37
CASP7 P55210 4/20 0.37
ALDH1A1 P00352 4/20 0.35
TSHR P16473 2/20 0.35
HPGD P15428 1/20 0.35
RECQL P46063 1/20 0.35
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
GHSR Q92847 1/20 0.33
TP53 P04637 1/20 0.32
CASP6 P55212 1/20 0.32
NPC1 O15118 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL8171557 0.89 ALDH1A1 (0.35) CASP3CASP8CASP1CASP7ALDH1A1
Hydrochloric Acid SCHEMBL8176793 0.89 UBE2M (0.35) CASP3CASP8CASP1CASP7ALDH1A1
SCHEMBL7682607 0.87 CASP1 (0.44) CASP3CASP1
SCHEMBL7678002 0.86 ALDH1A1 (0.37) CASP3CASP8CASP1CASP7ALDH1A1
SCHEMBL7685546 0.85 CASP3 (0.38) CASP3CASP8CASP1CASP7TP53
SCHEMBL7679379 0.84 ALDH1A1 (0.38) CASP3CASP8CASP1ALDH1A1TSHR
SCHEMBL7684582 0.83 ALDH1A1 (0.37) CASP3CASP8CASP1CASP7ALDH1A1
SCHEMBL7683738 0.82 ALDH1A1 (0.36) CASP3CASP8CASP1CASP7ALDH1A1
SCHEMBL7678219 0.78 ALDH1A1 (0.36) CASP3ALDH1A1TSHRHPGDRECQL
SCHEMBL7680036 0.78 CASP1 (0.43) CASP3CASP1

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-6136834-A TETRAZOLE PEPTIDES ONO PHARMACEUTICAL CO., LTD. (JP) 2000-10-24 US claimed
EP-0900791-A1 TETRAZOLE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 1999-03-10 EP claimed
US-6376484-B1 FOR PREVENTION AND/OR TREATMENT OF VARIOUS KINDS OF INFLAMMATORY DISEASE ONO PHARMACEUTICAL CO., LTD. (JP) 2002-04-23 US disclosed
US-6136834-A TETRAZOLE PEPTIDES ONO PHARMACEUTICAL CO., LTD. (JP) 2000-10-24 US disclosed
EP-0900791-A1 TETRAZOLE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 1999-03-10 EP disclosed