SCHEMBL9710075

SCHEMBL9710075

CCCC(=O)C(Cc1ccc(Br)cc1)C(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.50
HDAC1 Q13547 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 2/20 0.40
MAPK1 P28482 2/20 0.40
LMNA P02545 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MEN1 O00255 1/20 0.40
S1PR4 O95977 1/20 0.40
S1PR1 P21453 1/20 0.40
ALDH1A1 P00352 3/20 0.40
TP53 P04637 1/20 0.40
MME P08473 3/20 0.39
ACE P12821 1/20 0.39
NPY1R P25929 1/20 0.39
NPY2R P49146 1/20 0.39
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL534123 0.88 MMP8 (0.52) MMP8HDAC1HDAC6KMT2AMAPT
SCHEMBL27747 0.88 MMP8 (0.58) MMP8HDAC1HDAC6KMT2AMAPT
SCHEMBL1522685 0.85 MMP8 (0.64) MMP8KMT2AMAPK1LMNAMEN1
SCHEMBL2426124 0.83 MMP8 (0.54) MMP8HDAC1HDAC6KMT2AMAPT
SCHEMBL9308568 0.81 MAPT (0.52) MMP8KMT2AMAPTLMNAMEN1
SCHEMBL3708718 0.80 HDAC1 (0.50) MMP8HDAC1HDAC6KMT2AALDH1A1
SCHEMBL8693477 0.79 KMT2A (0.43) KMT2AMAPTMAPK1LMNANPSR1
SCHEMBL4415181 0.79 MMP8 (0.40) MMP8KMT2AMAPK1ALDH1A1TP53
SCHEMBL15261926 0.79 SMN1; SMN2 (0.50) MMP8MAPTMAPK1LMNAALDH1A1
SCHEMBL1312803 0.79 MMP8 (0.62) MMP8KMT2AMAPK1MEN1ALDH1A1

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
US-5157040-A Treatment of hypertension, ocular hypertension and some CNS disorders MERCK & CO., INC. (US) 1992-10-20 US disclosed
EP-0507594-A1 Substituted quinolines as angiotensin II antagonists MERCK & CO. INC. (US) 1992-10-07 EP disclosed