SCHEMBL20074485

SCHEMBL20074485

CCCN(CCC)c1ccc(C(=O)C(CC)(Cc2ccccc2)N(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.44
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MLYCD O95822 1/20 0.41
EGFR P00533 2/20 0.40
ERBB2 P04626 2/20 0.40
RORC P51449 3/20 0.40
ESRRG P62508 1/20 0.39
CDK2 P24941 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NAMPT P43490 1/20 0.38
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 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
SCHEMBL1595027 0.92 CNR2 (0.43) CNR2NPSR1L3MBTL1MLYCDEGFR
SCHEMBL13310003 0.91 MLYCD (0.41) CNR2NPSR1L3MBTL1MLYCDEGFR
SCHEMBL23507905 0.88 MLYCD (0.45) CNR2NPSR1L3MBTL1MLYCDEGFR
SCHEMBL58499 0.87 KMT2A (0.51) CNR2MLYCDMEN1KMT2AALDH1A1
SCHEMBL4650526 0.85 RIPK1 (0.43) MLYCDMEN1KMT2A
Benzene SCHEMBL28672020 0.85 RIPK1 (0.43) MLYCDMEN1KMT2A
SCHEMBL23507904 0.85 CNR2 (0.39) CNR2NPSR1L3MBTL1EGFRERBB2
SCHEMBL22039927 0.85 MLYCD (0.38) CNR2MLYCDEGFRERBB2ESRRG
SCHEMBL3421882 0.84 L3MBTL1 (0.47) L3MBTL1MLYCDMEN1KMT2AALDH1A1
SCHEMBL8898604 0.84 SRD5A1 (0.47) MLYCDEGFRERBB2MEN1KMT2A

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-3526288-B1 STABILIZER COMPOSITION BASF SE (DE) 2021-08-04 EP disclosed
EP-3526301-B1 HARDENABLE POLYMER COMPOSITION BASF SE (DE) 2021-06-16 EP disclosed
WO-2018069526-A1 HARDENABLE POLYMER COMPOSITION BASF SE (DE) 2018-04-19 WO disclosed