SCHEMBL7687004

SCHEMBL7687004

COCCSC(=O)NC(CC(=O)O)C(=O)Cn1nnnc1Sc1c(Cl)cccc1Cl

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 2/20 0.35
HPGD P15428 2/20 0.34
NPC1 O15118 1/20 0.34
KMT2A Q03164 1/20 0.34
CASP3 P42574 2/20 0.33
CASP6 P55212 1/20 0.33
CASP8 Q14790 1/20 0.33
CYP2C19 P33261 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
TSHR P16473 1/20 0.33
CTSA P10619 6/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL7684617 0.95 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2LMNAHPGDNPC1
SCHEMBL7675858 0.90 ALDH1A1 (0.36) ALDH1A1LMNAHPGDNPC1KMT2A
SCHEMBL7687093 0.89 ALDH1A1 (0.36) ALDH1A1LMNAHPGDNPC1KMT2A
SCHEMBL7679820 0.89 ALDH1A1 (0.35) ALDH1A1LMNAHPGDNPC1KMT2A
SCHEMBL7681919 0.88 CASP1 (0.38) ALDH1A1SMN1; SMN2LMNAHPGDNPC1
SCHEMBL7677059 0.88 ALDH1A1 (0.38) ALDH1A1LMNAHPGDKMT2ACASP3
SCHEMBL7679414 0.87 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2LMNAHPGDCYP2C19
SCHEMBL8307740 0.86 ALDH1A1 (0.34) ALDH1A1LMNAHPGDTSHR
SCHEMBL7684434 0.86 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2LMNAHPGDNPC1
SCHEMBL7686197 0.86 CASP1 (0.37) ALDH1A1SMN1; SMN2NPC1KMT2ACASP3

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