SCHEMBL10659142

SCHEMBL10659142

COC[C@H](NC(=O)CCc1ccccc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.56
LMNA P02545 1/20 0.56
ITGB3 P05106 1/20 0.54
ITGA2B P08514 1/20 0.54
RECQL P46063 1/20 0.52
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA3 P07451 1/20 0.51
CA4 P22748 1/20 0.51
CA6 P23280 1/20 0.51
CA5A P35218 1/20 0.51
CA7 P43166 1/20 0.51
CACNA1C Q13936 1/20 0.51
SCN9A Q15858 1/20 0.51
CA9 Q16790 1/20 0.51
CA13 Q8N1Q1 1/20 0.51
CA14 Q9ULX7 1/20 0.51
CA5B Q9Y2D0 1/20 0.51
PIN1 Q13526 1/20 0.51

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
SCHEMBL10659140 1.00 KDM4E (0.56) KDM4ELMNAITGB3ITGA2BRECQL
SCHEMBL7772288 0.86 HDAC3 (0.51) LMNAITGB3ITGA2BPIN1HDAC2
SCHEMBL9831124 0.85 CNR2 (0.55) ITGB3ITGA2BCA12CA1CA2
SCHEMBL9831119 0.85 CNR2 (0.55) ITGB3ITGA2BCA12CA1CA2
SCHEMBL4888092 0.84 KDM4E (0.50) KDM4ELMNAITGB3ITGA2BRECQL
SCHEMBL29637713 0.83 SMN1; SMN2 (0.57) LMNAITGB3ITGA2BPIN1HDAC2
SCHEMBL24533898 0.81 PIN1 (0.59) ITGB3ITGA2BPIN1HDAC2HDAC8
SCHEMBL4153095 0.81 ITGB3 (0.65) ITGB3ITGA2BPIN1HDAC2HDAC8
SCHEMBL5458748 0.81 ITGB3 (0.65) ITGB3ITGA2BPIN1HDAC2HDAC8
SCHEMBL4153101 0.81 ITGB3 (0.65) ITGB3ITGA2BPIN1HDAC2HDAC8

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US disclosed