SCHEMBL9828283

SCHEMBL9828283

CCOC(=O)CC(CCl)CC#N.N#CCC(CCl)Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 2/20 0.41
MMP8 P22894 1/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
PPID Q08752 1/20 0.38
MAOB P27338 1/20 0.38
GAA P10253 1/20 0.38
EGFR P00533 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ANPEP P15144 1/20 0.37

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
SCHEMBL7262324 0.84 MGAM (0.38) SMN1; SMN2TSHRALDH1A1KDM4EGAA
SCHEMBL18065659 0.81 MMP8 (0.53) SMN1; SMN2L3MBTL1TSHRMMP8ALDH1A1
SCHEMBL4849811 0.80 MAOB (0.42) ALDH1A1CTSLCTSSCTSKMAOB
SCHEMBL28240288 0.77 MMP8 (0.49) L3MBTL1TSHRMMP8ALDH1A1PPID
SCHEMBL7447177 0.76 MMP8 (0.48) L3MBTL1TSHRMMP8ALDH1A1PPID
SCHEMBL28767197 0.76 MMP8 (0.48) SMN1; SMN2L3MBTL1TSHRMMP8ALDH1A1
SCHEMBL15233366 0.75 MGAM (0.43) SMN1; SMN2TSHRALDH1A1KDM4EGAA
SCHEMBL7515035 0.73 MAOB (0.42) TSHRCTSSCTSKMAOBTDP1
SCHEMBL1762807 0.72 MGAM (0.38) SMN1; SMN2TSHRALDH1A1GAATDP1
SCHEMBL12268225 0.71 TRPA1 (0.53) L3MBTL1TSHRMMP8ALDH1A1PPID

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
EP-0395697-A4 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D 4? 1991-03-13 EP disclosed
EP-0395697-A1 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D 4 RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1990-11-07 EP disclosed
WO-1989004303-A1 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D4 RORER INTERNATIONAL (OVERSEAS) INC. (US) 1989-05-18 WO disclosed