SCHEMBL5501545

SCHEMBL5501545

CCCCCCNc1ccc(CCC(=O)O)c(C#N)c1C#N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.43
S1PR1 P21453 3/20 0.40
S1PR3 Q99500 2/20 0.40
S1PR2 O95136 1/20 0.40
HCAR3 P49019 1/20 0.39
HPGD P15428 2/20 0.39
ALDH1A1 P00352 2/20 0.39
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
MGLL Q99685 1/20 0.38
EPHX2 P34913 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
PLA2G2A P14555 1/20 0.36
NAAA Q02083 1/20 0.36
GPR84 Q9NQS5 2/20 0.36
PPARG P37231 2/20 0.36
PPARD Q03181 2/20 0.36
PPARA Q07869 2/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL15641739 0.76 HPGD (0.48) HPGDALDH1A1CNR1CNR2NAAA
SCHEMBL11252842 0.71 S1PR1 (0.46) S1PR1S1PR3S1PR2HCAR3HPGD
SCHEMBL11264051 0.70 S1PR1 (0.51) S1PR1S1PR3S1PR2HCAR3PPARA
SCHEMBL11065271 0.69 EPHX2 (0.50) HPGDALDH1A1FFAR1FFAR4EPHX2
SCHEMBL7565327 0.69 S1PR1 (0.59) S1PR1S1PR3S1PR2HPGDFFAR1
SCHEMBL11239781 0.69 S1PR1 (0.59) S1PR1S1PR3S1PR2HPGDFFAR1
SCHEMBL11243338 0.69 S1PR1 (0.59) S1PR1S1PR3S1PR2HPGDFFAR1
SCHEMBL11226388 0.69 S1PR1 (0.59) S1PR1S1PR3S1PR2HPGDFFAR1
SCHEMBL11243832 0.69 S1PR1 (0.59) S1PR1S1PR3S1PR2HPGDFFAR1
SCHEMBL11226419 0.69 S1PR1 (0.59) S1PR1S1PR3S1PR2HPGDFFAR1

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-1765592-A1 METHOD FOR MAKING NEGATIVE-WORKING HEAT-SENSITIVE LITHOGRAPHIC PRINTING PLATE PRECURSOR Agfa Graphics N.V. (BE) 2007-03-28 EP disclosed
WO-2006005688-A1 METHOD FOR MAKING NEGATIVE-WORKING HEAT-SENSITIVE LITHOGRAPHIC PRINTING PLATE PRECURSOR. AGFA-GEVAERT (BE) 2006-01-19 WO disclosed