SCHEMBL8618356

SCHEMBL8618356

C#CC=C(C)C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.55
RECQL P46063 1/20 0.52
PTPN2 P17706 1/20 0.48
PTPN1 P18031 1/20 0.48
PTPN6 P29350 1/20 0.48
EPHX1 P07099 1/20 0.46
GPR119 Q8TDV5 4/20 0.45
HSD17B10 Q99714 1/20 0.45
KMT2A Q03164 1/20 0.44
USP2 O75604 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
STS P08842 5/20 0.43
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42

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
SCHEMBL14823741 0.87 HPGD (0.54) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL15918769 0.87 HPGD (0.54) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL13599001 0.84 HPGD (0.60) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL8616610 0.82 RECQL (0.50) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL8616609 0.82 RECQL (0.50) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL8065517 0.81 HPGD (0.56) HPGDRECQLPTPN2PTPN1PTPN6
Acetic Acid SCHEMBL7381337 0.80 HPGD (0.62) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL2015039 0.79 HPGD (0.66) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL26608596 0.79 HPGD (0.66) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL43357 0.79 HPGD (0.66) HPGDRECQLPTPN2PTPN1PTPN6

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-5786373-A Fibrinogen receptor antagonists MERCK & CO., INC. (US) 1998-07-28 US disclosed