SCHEMBL3667451

SCHEMBL3667451

CC1(C)OB(c2cc(NC(=O)O)ccc2Cl)OC1(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.39
EPHX2 P34913 2/20 0.39
GRM4 Q14833 1/20 0.39
CA2 P00918 5/20 0.38
CA9 Q16790 5/20 0.38
CA1 P00915 4/20 0.38
CYP3A4 P08684 1/20 0.38
APEX1 P27695 1/20 0.38
NPC1 O15118 6/20 0.37
RAB9A P51151 4/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
PDGFRB P09619 1/20 0.37
KDR P35968 1/20 0.37
CA4 P22748 2/20 0.36
CA5A P35218 2/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 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
SCHEMBL16599542 0.89 RORC (0.43) EPHX1EPHX2GRM4NPC1RAB9A
SCHEMBL10325839 0.89 EPHX1 (0.39) EPHX1EPHX2CA2CA9CA1
SCHEMBL3767805 0.82 AAK1 (0.45) CA2CA9CA1CA4CA12
SCHEMBL3726907 0.80 CXCR2 (0.41) CA2CA9CA1NPC1RAB9A
SCHEMBL18797059 0.80 PDGFRB (0.41) CA2CA9CA1PDGFRBKDR
SCHEMBL16533832 0.79 MAPT (0.53) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL1070604 0.78 CA1 (0.55) CA2CA9CA1NPC1RAB9A
SCHEMBL2635866 0.78 KMT2A (0.40) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL26617336 0.78 PDGFRB (0.35) CA2CA9CA1NPC1RAB9A
SCHEMBL1233595 0.78 TSHR (0.49) CA2CA9CA1NPC1CA4

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-2152704-A1 PYRAZOLO-PYRIDINONE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR PHARMACEUTICAL USE Amgen, Inc (US) 2010-02-17 EP disclosed
WO-2008137176-A1 PYRAZOLO-PYRIDINONE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR PHARMACEUTICAL USE AMGEN INC. (US) 2008-11-13 WO disclosed