SCHEMBL7009510

SCHEMBL7009510

O=CCCSc1ccc(O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.46
HSP90AA1 P07900 1/20 0.45
KCNH2 Q12809 1/20 0.45
NR1H2 P55055 1/20 0.41
LMNA P02545 2/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
ALDH5A1 P51649 1/20 0.38
ABAT P80404 1/20 0.38
MAPK1 P28482 3/20 0.36
MAPT P10636 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA7 P43166 1/20 0.35
CA13 Q8N1Q1 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 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
SCHEMBL29114758 0.86 LMNA (0.45) CA2HSP90AA1KCNH2NR1H2LMNA
SCHEMBL10407904 0.79 NR1H2 (0.55) CA2HSP90AA1KCNH2NR1H2LMNA
SCHEMBL7514361 0.79 ALDH1A1 (0.49) MAPK1MAPTNPC1RAB9AALDH1A1
SCHEMBL5542119 0.79 KDM4E (0.47) LMNAMAPTNPC1RAB9AKMT2A
SCHEMBL5542701 0.79 ALDH1A1 (0.41) LMNAMAPTNPC1RAB9AKMT2A
SCHEMBL5546176 0.79 SMN1; SMN2 (0.46) HSP90AA1KCNH2LMNAMAPK1MAPT
SCHEMBL949802 0.78 ALDH1A1 (0.61) CA2MAPK1NPC1RAB9AKMT2A
SCHEMBL8746031 0.78 CA2 (0.48) CA2HSP90AA1KCNH2NR1H2LMNA
SCHEMBL536376 0.75 LMNA (0.51) CA2HSP90AA1KCNH2NR1H2LMNA
SCHEMBL537146 0.75 LMNA (0.56) CA2HSP90AA1KCNH2NR1H2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7482372-B2 Hydantoins and related heterocycles as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-27 US disclosed
EP-1267874-A2 THERAPEUTIC USES OF PPAR MEDIATORS Aventis Pharma Deutschland GmbH (DE) 2003-01-02 EP disclosed
US-6376512-B1 FOR TREATING PHYSIOLOGICAL CONDITION IN PATIENT WHEREIN SAID CONDITION IS ASSOCIATED WITH A PHYSIOLOGICALLY DETRIMENTAL LEVELS OF INSULIN, GLUCOSE, FREE FATTY ACIDS, OR TRIGLYCERIDES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-04-23 US disclosed
WO-2001066098-A2 THERAPEUTIC USES OF PPAR MEDIATORS AVENTIS PHARMA DEUTSCHLAND GMBH 2001-09-13 WO disclosed
EP-0315399-B1 Quinoline derivatives, their use in the treatment of hypersensitive ailments and a pharmaceutical composition containing the same RHONE POULENC RORER INT (US) 1996-01-10 EP disclosed
US-5059610-A QUINOLINE DERIVATIVES AND THEIR USE AS ANTAGONISTS OF LEUKOTRIENE D4 RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-10-22 US disclosed
US-4920132-A Quinoline derivatives and use thereof as antagonists of leukotriene D4 RORER PHARMACEUTICAL CORP. (US) 1990-04-24 US disclosed
WO-1989004305-A1 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D4 RORER INTERNATIONAL (OVERSEAS) INC. (US) 1989-05-18 WO disclosed