SCHEMBL7623766

SCHEMBL7623766

CCCCCCCCCCCCCCCC#CC(N)=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 5/20 0.53
HMGCR P04035 5/20 0.53
RECQL P46063 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
ALOX12 P18054 1/20 0.46
BLM P54132 1/20 0.46
KMT2A Q03164 1/20 0.46
MCL1 Q07820 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
EPHX2 P34913 4/20 0.42
TSHR P16473 1/20 0.41
SELP P16109 1/20 0.41
MMP2 P08253 1/20 0.41

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
SCHEMBL28658232 1.00 PTPN7 (0.53) PTPN7HMGCRRECQLTDP1ALDH1A1
SCHEMBL1198893 0.98 PTPN7 (0.50) PTPN7HMGCRRECQLTDP1ALDH1A1
SCHEMBL1259953 0.91
SCHEMBL4865379 0.86 HMGCR (0.59) PTPN7HMGCRRECQLTDP1ALDH1A1
SCHEMBL8761928 0.86 HMGCR (0.59) PTPN7HMGCRRECQLTDP1ALDH1A1
SCHEMBL10464578 0.84 HMGCR (0.58) PTPN7HMGCRRECQLTDP1ALDH1A1
SCHEMBL1258131 0.81
SCHEMBL23116350 0.80 PTPN7 (0.61) PTPN7HMGCRRECQLTDP1ALDH1A1
SCHEMBL23116295 0.80 PTPN7 (0.61) PTPN7HMGCRRECQLTDP1ALDH1A1
SCHEMBL23116298 0.80 PTPN7 (0.61) PTPN7HMGCRRECQLTDP1ALDH1A1

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
US-6444832-B1 OSTEOPOROSIS ESSWEIN ANGELIKA (DE) 2002-09-03 US disclosed
US-4456619-A Amides of 2-alkynoic acids and use for inhibiting accumulation of cholesterol ester in arterial walls SANDOZ, INC. (US) 1984-06-26 US disclosed