SCHEMBL1852549

SCHEMBL1852549

CCCCCCCCC(CCC)NC(=O)Cc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.72
POLB P06746 1/20 0.62
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
EPHX2 P34913 1/20 0.48
PLA2G2C Q5R387 1/20 0.48
ENPP2 Q13822 1/20 0.47
CNR1 P21554 1/20 0.47

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
SCHEMBL1856691 1.00 CNR2 (0.72) CNR2POLBMEN1KMT2AEPHX2
SCHEMBL8695595 0.91 CNR2 (0.72) CNR2POLBMEN1KMT2AEPHX2
SCHEMBL31616456 0.90 CNR2 (0.70) CNR2POLBMEN1KMT2AEPHX2
SCHEMBL15087599 0.85 CNR2 (0.97) CNR2POLBMEN1KMT2AEPHX2
SCHEMBL18896343 0.85 POLB (0.69) CNR2POLBMEN1KMT2ACNR1
SCHEMBL15064314 0.84 CNR2 (1.00) CNR2POLBMEN1KMT2ACNR1
SCHEMBL31661673 0.83 CNR2 (0.72) CNR2POLBMEN1KMT2A
SCHEMBL27659273 0.82 POLB (0.66) CNR2POLBMEN1KMT2ACNR1
SCHEMBL27659274 0.82 POLB (0.66) CNR2POLBMEN1KMT2ACNR1
SCHEMBL18884739 0.82 POLB (0.54) CNR2POLBMEN1KMT2AEPHX2

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-1470102-B1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) MERCK SERONO SA (CH) 2011-05-25 EP disclosed
EP-1470102-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) Applied Research Systems ARS Holding N.V. (AN) 2004-10-27 EP disclosed
WO-2003064376-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-08-07 WO disclosed