SCHEMBL7684936

SCHEMBL7684936

CCCCOc1ccc(S(=O)(=O)NC(CC(=O)O)C(=O)Cn2nnnc2Cc2c(Cl)cccc2Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 3/20 0.43
MMP3 P08254 2/20 0.43
KCNA5 P22460 2/20 0.41
BCL2L1 Q07817 1/20 0.40
MCL1 Q07820 1/20 0.40
LMNA P02545 2/20 0.37
ALDH1A1 P00352 1/20 0.37
RECQL P46063 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAPT P10636 1/20 0.37
KDM4C Q9H3R0 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MMP2 P08253 2/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL7680120 0.90 S1PR1 (0.39) LMNAALDH1A1RECQLNPSR1S1PR1
SCHEMBL7684963 0.88 ALDH1A1 (0.37) MMP13LMNAALDH1A1RECQLNPSR1
SCHEMBL7682657 0.87 LMNA (0.38) LMNAALDH1A1RECQLNPSR1MAPT
SCHEMBL7680377 0.85 ALDH1A1 (0.42) LMNAALDH1A1RECQLNPSR1MAPT
SCHEMBL7684335 0.85 SMN1; SMN2 (0.42) MMP13LMNAALDH1A1RECQLNPSR1
SCHEMBL7680424 0.85 MMP13 (0.45) MMP13MMP3KCNA5BCL2L1MCL1
SCHEMBL7679508 0.84 MMP13 (0.38) MMP13LMNAALDH1A1RECQLNPSR1
SCHEMBL7681872 0.83 ALDH1A1 (0.37) MMP13MMP3LMNAALDH1A1RECQL
SCHEMBL7686366 0.81 POLB (0.40) MMP13MMP3ALDH1A1MAPTMMP2
SCHEMBL7683248 0.79 ALDH1A1 (0.39) ALDH1A1MAPTKDM4CKAT6A

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