SCHEMBL4776896

SCHEMBL4776896

CC(C)Oc1ccc(CN[C@H](CC(=O)O)Cc2ccc(C3=NC(C)(C(C)(C)C)N=C3)cc2)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MMEL1 Q495T6 2/20 0.36
S1PR3 Q99500 1/20 0.36
S1PR5 Q9H228 1/20 0.36
MME P08473 1/20 0.35
P2RX3 P56373 8/20 0.35
ITGB1 P05556 1/20 0.35
ITGA4 P13612 1/20 0.35
CENPE Q02224 1/20 0.34
CSNK2A1 P68400 2/20 0.34
KMO O15229 2/20 0.34
LMNA P02545 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
SCHEMBL4876587 0.76 S1PR1 (0.39) S1PR1MEN1KMT2AMMEL1S1PR3
SCHEMBL5569467 0.76 CENPE (0.39) S1PR1MEN1KMT2AS1PR3S1PR5
SCHEMBL5569474 0.67 P2RX3 (0.39) S1PR1MEN1KMT2AMMEL1S1PR3
SCHEMBL4776899 0.66 MEN1 (0.37) MEN1KMT2AMMEL1MMEP2RX3
SCHEMBL4722596 0.65 CENPE (0.43) S1PR1S1PR3S1PR5MMEP2RX3
SCHEMBL4768217 0.65 MEN1 (0.36) S1PR1MEN1KMT2AS1PR3S1PR5
SCHEMBL3937748 0.64 S1PR1 (0.43) S1PR1MEN1KMT2AS1PR3S1PR5
SCHEMBL5569134 0.63 CENPE (0.39) S1PR1MEN1KMT2AP2RX3CENPE
SCHEMBL3938402 0.62 S1PR1 (0.43) S1PR1MEN1KMT2AS1PR3S1PR5
SCHEMBL13917838 0.61 CENPE (0.60) S1PR1MMEL1MMEITGB1ITGA4

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-1942732-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-07-16 EP disclosed
WO-2007056143-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 WO disclosed