SCHEMBL9079346

SCHEMBL9079346

CC(CCCc1ccncc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 3/20 0.46
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
TBXAS1 P24557 2/20 0.44
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP19A1 P11511 2/20 0.43
MMP12 P39900 1/20 0.42
MMP13 P45452 1/20 0.42
CYSLTR2 Q9NS75 1/20 0.42
CYSLTR1 Q9Y271 1/20 0.42
HRH1 P35367 2/20 0.42
BLM P54132 1/20 0.42

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
SCHEMBL27514701 0.93 LTB4R (0.53) LTB4RLMNAMAPTMAPK1TBXAS1
SCHEMBL27498072 0.89 TSHR (0.49) LMNAMAPTMAPK1TBXAS1ALDH1A1
SCHEMBL8826605 0.84 LTB4R (0.59) LTB4RLMNAMAPTMAPK1ALDH1A1
SCHEMBL3254192 0.84 LTB4R (0.59) LTB4RLMNAMAPTMAPK1ALDH1A1
SCHEMBL15587062 0.84 LTB4R (0.59) LTB4RLMNAMAPTMAPK1ALDH1A1
SCHEMBL10398649 0.81 TBXAS1 (0.59) LMNATBXAS1
SCHEMBL10398650 0.81 TBXAS1 (0.59) LMNATBXAS1
SCHEMBL13870218 0.81 LTB4R (0.48) LTB4RALDH1A1CYP3A4BLM
SCHEMBL31745134 0.81 ESR1 (0.47) LTB4RLMNATBXAS1ALDH1A1CYP3A4
SCHEMBL14558125 0.79 PTGS1 (0.54) LTB4RLMNABLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5569665-A Peptidyl derivatives and their use as metalloproteinases inhibitors CELLTECH LIMITED (GB) 1996-10-29 US disclosed
EP-0605682-A1 PEPTIDYL DERIVATIVES AND THEIR USE AS METALLOPROTEINASES INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1994-07-13 EP disclosed
WO-1993024449-A1 PEPTIDYL DERIVATIVES AND THEIR USE AS METALLOPROTEINASES INHIBITORS CELLTECH LIMITED (GB) 1993-12-09 WO disclosed