SCHEMBL10424312

SCHEMBL10424312

CCCCCCCC(c1ccccc1)C(C)(C(=O)O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.44
MMP9 P14780 3/20 0.44
MMP3 P08254 2/20 0.44
MMP1 P03956 1/20 0.44
MMP14 P50281 1/20 0.44
NAAA Q02083 2/20 0.43
PRSS1 P07477 2/20 0.41
CTSG P08311 2/20 0.41
CTRB1 P17538 2/20 0.41
CMA1 P23946 2/20 0.41
ASAH1 Q13510 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 2/20 0.40
ACER2 Q5QJU3 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSH P09668 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40

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
SCHEMBL9815248 0.84 NAAA (0.43) MMP2MMP9MMP3MMP1MMP14
SCHEMBL27604017 0.84 NAAA (0.43) MMP2MMP9MMP3MMP1MMP14
SCHEMBL10521419 0.83 MEN1 (0.43) MMP2MMP9MMP3MMP1MMP14
Ammonia Solution, Strong SCHEMBL27662920 0.82 PRSS1 (0.46) MMP2MMP9MMP3MMP1MMP14
SCHEMBL9781115 0.82 PRSS1 (0.43) MMP2MMP9NAAAPRSS1CTSG
SCHEMBL16468978 0.81 MMP2 (0.44) MMP2MMP9MMP3MMP1MMP14
SCHEMBL28469779 0.81 ALDH1A1 (0.43) MMP2MMP9MMP3PRSS1CTSG
SCHEMBL14768367 0.79 MEN1 (0.42) MMP2MMP9MMP3MMP1MMP14
SCHEMBL27886667 0.79 MEN1 (0.42) MMP2MMP9MMP3MMP1MMP14
SCHEMBL10430558 0.78 NAAA (0.41) MMP2MMP9MMP3MMP1MMP14

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
EP-0202759-B1 LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1990-06-20 EP disclosed
EP-0202759-A2 Leukotriene antagonists SMITHKLINE BEECHAM CORPORATION (US) 1986-11-26 EP disclosed