SCHEMBL27334948

SCHEMBL27334948

CCC(C)(C(=O)O)c1cc(Cl)ccc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DDR1 Q08345 1/20 0.40
▸ KDM4E B2RXH2 5/20 0.37
▸ GAA P10253 2/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ ALDH1A1 P00352 5/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ TMPRSS4 Q9NRS4 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ F2R P25116 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ RBP4 P02753 1/20 0.34

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
SCHEMBL29261731 0.88 GAA (0.38) DDR1KDM4EGAAMAPK1ALDH1A1
SCHEMBL10745488 0.79 EGFR (0.39) KDM4EGAAMAPK1KMT2AMEN1
SCHEMBL20556837 0.73 MIF (0.48) SMN1; SMN2KMT2AMEN1CYP1A2CYP3A4
SCHEMBL1626113 0.73 MIF (0.48) SMN1; SMN2KMT2AMEN1CYP1A2CYP3A4
SCHEMBL29960917 0.73 ABCB11 (0.49) DDR1KDM4EGAAMAPK1ALDH1A1
SCHEMBL24730488 0.72 PGR (0.41) DDR1KDM4EGAAMAPK1ALDH1A1
SCHEMBL15143953 0.72 MAPK1 (0.38) DDR1KDM4EGAAMAPK1ALDH1A1
Hydrochloric Acid SCHEMBL8663111 0.71 MIF (0.47) SMN1; SMN2KMT2AMEN1CYP1A2CYP3A4
SCHEMBL29960430 0.71 DDR1 (0.36) DDR1KDM4EGAAMAPK1ALDH1A1
SCHEMBL1626970 0.71 SCN5A (0.46) CYP1A2CYP2C19RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1046711-C Unsaturated hydroxyalkyl quinoline carboxylic acids as leukotriene antagonists MERCK FROSST CANADA INC (CA) 1999-11-24 — — CN disclosed
CN-1061407-A Unsaturated hydroxyalkyl quinoline carboxylic acids as leukotriene antagonists MERCK FROSST CANADA INC (CA) 1992-05-27 — — CN disclosed
Send feedback