SCHEMBL7684617

SCHEMBL7684617

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

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
DGAT1 O75907 4/20 0.34
LMNA P02545 2/20 0.33
HPGD P15428 2/20 0.33
NPC1 O15118 1/20 0.33
KMT2A Q03164 1/20 0.33
CASP3 P42574 2/20 0.32
CASP6 P55212 1/20 0.32
CASP8 Q14790 1/20 0.32
CYP2C19 P33261 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
TSHR P16473 1/20 0.31
CTSA P10619 3/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL7687004 0.95 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2LMNAHPGDNPC1
SCHEMBL7686197 0.89 CASP1 (0.37) ALDH1A1SMN1; SMN2DGAT1NPC1KMT2A
SCHEMBL7675858 0.87 ALDH1A1 (0.36) ALDH1A1LMNAHPGDNPC1KMT2A
SCHEMBL7681919 0.87 CASP1 (0.38) ALDH1A1SMN1; SMN2LMNAHPGDNPC1
SCHEMBL7687093 0.86 ALDH1A1 (0.36) ALDH1A1LMNAHPGDNPC1KMT2A
SCHEMBL7679820 0.86 ALDH1A1 (0.35) ALDH1A1LMNAHPGDNPC1KMT2A
SCHEMBL7677059 0.85 ALDH1A1 (0.38) ALDH1A1LMNAHPGDKMT2ACASP3
SCHEMBL7683785 0.85 DGAT1 (0.33) ALDH1A1SMN1; SMN2DGAT1LMNACASP3
SCHEMBL7679414 0.84 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2LMNAHPGDCYP2C19
SCHEMBL8307740 0.83 ALDH1A1 (0.34) ALDH1A1LMNAHPGDTSHR

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