SCHEMBL6952146

SCHEMBL6952146

CC(C)C(CS(=O)(=O)N1CCC(=NOCc2ccc(Cl)cc2)CC1)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.41
▸ CYP2C19 P33261 3/20 0.41
▸ CYP3A4 P08684 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ TSHR P16473 1/20 0.36
▸ LMNA P02545 3/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ CACNA1B Q00975 1/20 0.33
▸ PMP22 Q01453 1/20 0.33
▸ NLRP3 Q96P20 1/20 0.33
▸ STS P08842 1/20 0.32
▸ MDM2 Q00987 3/20 0.32
▸ HSD11B1 P28845 1/20 0.32
▸ TP53 P04637 1/20 0.31

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
SCHEMBL6943048 0.88 MAPT (0.44) MAPTCYP2C19CYP3A4ALDH1A1CYP2C9
SCHEMBL6947673 0.85 MAPT (0.42) MAPTCYP2C19CYP3A4ALDH1A1CYP2C9
SCHEMBL7239714 0.80 PROKR1 (0.41) MAPTCYP2C19CYP3A4CYP2C9TSHR
SCHEMBL6954217 0.75 GPR119 (0.36) ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL7237312 0.75 POLB (0.30) L3MBTL1
SCHEMBL4376967 0.71 ALDH1A1 (0.56) MAPTCYP2C19CYP3A4ALDH1A1CYP2C9
SCHEMBL4380104 0.69 ALDH1A1 (0.50) MAPTCYP2C19CYP3A4ALDH1A1CYP2C9
SCHEMBL6787059 0.68 MMP13 (0.42) MAPTCYP3A4ALDH1A1SMN1; SMN2LMNA
SCHEMBL6946610 0.68 ALDH1A1 (0.55) MAPTCYP2C19CYP3A4ALDH1A1CYP2C9
SCHEMBL4380726 0.66 ALDH1A1 (0.51) MAPTCYP2C19CYP3A4ALDH1A1CYP2C9

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1030836-B1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES HAVING MMP AND TNF INHIBITORY ACTIVITY DARWIN DISCOVERY LTD (GB) 2003-01-29 — — EP claimed
Send feedback