SCHEMBL5879601

SCHEMBL5879601

CC(=O)OC1c2ccccc2C(=O)N(CCC(=O)NCC2CCN(c3ccccn3)CC2)c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.45
L3MBTL1 Q9Y468 2/20 0.42
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
MAPT P10636 1/20 0.39
CKS1B P61024 2/20 0.38
SKP1 P63208 2/20 0.38
SKP2 Q13309 2/20 0.38
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
HTR2A P28223 1/20 0.38
HTR7 P34969 1/20 0.38
HTR6 P50406 1/20 0.38
TP53 P04637 1/20 0.38
ITGB3 P05106 1/20 0.37
ITGAV P06756 1/20 0.37
F10 P00742 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL5879778 0.92 ITGB3 (0.43) HSD17B10L3MBTL1KDM4EALDH1A1CKS1B
SCHEMBL5879731 0.85 HSD17B10 (0.64) HSD17B10L3MBTL1KDM4EALDH1A1HPGD
SCHEMBL5879563 0.82 POLB (0.45) KDM4EITGB3ITGAVHRH3
SCHEMBL5879673 0.80 HSD17B10 (0.63) HSD17B10L3MBTL1KDM4EALDH1A1HPGD
SCHEMBL5879664 0.79 ITGB3 (0.52) KDM4EALDH1A1TP53ITGB3ITGAV
SCHEMBL5879845 0.74 ITGB3 (0.46) ITGB3ITGAV
SCHEMBL5879692 0.72 NOS2 (0.48) HSD17B10L3MBTL1KDM4EALDH1A1MAPT
SCHEMBL5879510 0.69 GRIN2B (0.41) ITGB3ITGAV
SCHEMBL22776419 0.68 ALDH1A1 (0.52) HSD17B10KDM4EALDH1A1HPGDCKS1B
SCHEMBL5879540 0.67 ITGB3 (0.63) ALDH1A1ITGB3ITGAV

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-7105508-B1 Integrin receptors antagonists ABBOTT GMBH & CO. KG (DE) 2006-09-12 US disclosed