SCHEMBL7680074

SCHEMBL7680074

COc1ccc(CCOC(=O)NC(CC(=O)O)C(=O)Cn2nnc(Sc3c(Cl)cc(C)cc3Cl)n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.35
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
MDM2 Q00987 1/20 0.34
MMP13 P45452 3/20 0.33
CASP1 P29466 1/20 0.33
KMT2A Q03164 2/20 0.33
GLA P06280 1/20 0.32
SCD O00767 1/20 0.32
GAA P10253 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
SCHEMBL7685536 0.92 MDM2 (0.34) ALDH1A1SMN1; SMN2POLBMAPTRECQL
SCHEMBL7680365 0.91 CASP1 (0.36) ALDH1A1SMN1; SMN2POLBMAPTRECQL
SCHEMBL7684613 0.90 MMP12 (0.33) MMP13CASP1
SCHEMBL8172031 0.87 RECQL (0.35) ALDH1A1SMN1; SMN2POLBMAPTRECQL
SCHEMBL7678072 0.87 MDM2 (0.34) ALDH1A1SMN1; SMN2CHRM5CHRM1MDM2
Hydrochloric Acid SCHEMBL7680615 0.87 RECQL (0.34) ALDH1A1SMN1; SMN2POLBMAPTRECQL
SCHEMBL7683251 0.86 ALDH1A1 (0.36) ALDH1A1POLBCHRM5CHRM1CHRM3
SCHEMBL8171648 0.86 CASP1 (0.36) ALDH1A1SMN1; SMN2RECQLCASP1KMT2A
SCHEMBL7677902 0.86 CASP1 (0.36) ALDH1A1SMN1; SMN2POLBMAPTCHRM5
SCHEMBL7682343 0.84 CASP3 (0.47) CASP1

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