SCHEMBL17244439

SCHEMBL17244439

Cc1ccc2c(c1)CC(=O)N(CC(=O)O)C2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 2/20 0.51
▸ ITGA2B P08514 2/20 0.51
▸ PDE5A O76074 1/20 0.44
▸ HTT P42858 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ KDM4E B2RXH2 4/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ TSHR P16473 3/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ POLB P06746 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ DPP8 Q6V1X1 2/20 0.39
▸ DPP9 Q86TI2 2/20 0.39
▸ DPP7 Q9UHL4 1/20 0.39
▸ ALOX15 P16050 1/20 0.38
▸ SIRT1 Q96EB6 1/20 0.38
▸ MEN1 O00255 1/20 0.38

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
SCHEMBL17244437 0.87 ITGB3 (0.45) ITGB3ITGA2BPDE5AHTTSMN1; SMN2
SCHEMBL7901979 0.83 ITGB3 (0.55) ITGB3ITGA2BHTTSMN1; SMN2LMNA
SCHEMBL12545824 0.82 ITGB3 (0.48) ITGB3ITGA2BSMN1; SMN2KDM4EALDH1A1
SCHEMBL17244438 0.81 PDE5A (0.39) ITGB3ITGA2BPDE5AKDM4EALDH1A1
SCHEMBL38662990 0.80 KDM4E (0.54) ITGB3ITGA2BSMN1; SMN2KDM4ETSHR
SCHEMBL18664436 0.76 DPP8 (0.47) ITGB3ITGA2BHTTSMN1; SMN2LMNA
SCHEMBL12297862 0.75 TSHR (0.57) PDE5AHTTSMN1; SMN2LMNAKDM4E
SCHEMBL2839028 0.73 METAP1 (0.43) PDE5AHTTSMN1; SMN2KDM4EALDH1A1
SCHEMBL14368231 0.72 ACHE (0.45) HTTKDM4EALDH1A1TSHRCYP3A4
SCHEMBL18664437 0.71 DPP8 (0.45) KDM4ETSHRPOLBDPP8DPP9

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
EP-2373634-B1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARM CO LTD (JP) 2015-11-11 — — EP disclosed
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