SCHEMBL4779145

SCHEMBL4779145

COCCN1C[C@H](C(=O)O)[C@@H](c2cccc(F)c2C)[C@@H](C(=O)c2cccc(O)c2)C1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.40
NPC1 O15118 2/20 0.38
TNF P01375 1/20 0.38
RAB9A P51151 1/20 0.38
NOD1 Q9Y239 1/20 0.38
NTRK1 P04629 4/20 0.36
KDM2B Q8NHM5 3/20 0.35
KDR P35968 2/20 0.33
F10 P00742 1/20 0.33
RBP4 P02753 1/20 0.33
KDM4E B2RXH2 1/20 0.33
RECQL P46063 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PTGER4 P35408 2/20 0.33
ESR1 P03372 1/20 0.33
HRH2 P25021 1/20 0.33

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
SCHEMBL4779138 1.00 MC4R (0.40) MC4RNPC1TNFRAB9ANOD1
SCHEMBL4026512 0.96 NPC1 (0.41) MC4RNPC1TNFRAB9ANOD1
SCHEMBL4751807 0.92 MC4R (0.42) MC4RNPC1NTRK1F10KDM4E
SCHEMBL4019468 0.92 MC4R (0.42) MC4RNPC1NTRK1F10KDM4E
SCHEMBL4019465 0.92 MC4R (0.42) MC4RNPC1NTRK1F10KDM4E
SCHEMBL4021139 0.91 KDM2B (0.43) MC4RNPC1TNFRAB9ANOD1
SCHEMBL4751303 0.90 KDM2B (0.33) MC4RNTRK1KDM2BKDM4E
SCHEMBL4780053 0.89 MC4R (0.44) MC4RNPC1NTRK1F10KDM4E
SCHEMBL4021775 0.87 NPC1 (0.35) MC4RNPC1TNFRAB9ANOD1
SCHEMBL4749418 0.86 KDM2B (0.33) MC4RNPC1TNFRAB9ANOD1

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-1962846-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-09-03 EP disclosed
WO-2007059323-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-24 WO disclosed