SCHEMBL8312949

SCHEMBL8312949

COC(=O)c1cc(OC(C)=O)c2cc(C#N)ccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 2/20 0.44
PLAU P00749 2/20 0.43
LCK P06239 1/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PKM P14618 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
CYP3A4 P08684 1/20 0.40
EGLN2 Q96KS0 1/20 0.39
NAMPT P43490 1/20 0.39
PTPN11 Q06124 2/20 0.37
TSHR P16473 2/20 0.37
MAPT P10636 2/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 1/20 0.36
MEN1 O00255 2/20 0.36

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
SCHEMBL2171686 0.80 LCK (0.43) LCKRAB9ANPC1SMN1; SMN2PKM
SCHEMBL5777843 0.80 PLAU (0.46) NCEH1PLAULCKMRGPRX4CYP11B1
SCHEMBL30897207 0.80 LCK (0.43) LCKRAB9ANPC1SMN1; SMN2PKM
SCHEMBL5776609 0.80 PLAU (0.46) NCEH1PLAULCKRAB9ANPC1
SCHEMBL5775744 0.80 NCEH1 (0.47) NCEH1PLAULCKMRGPRX4CYP11B1
SCHEMBL29089553 0.80 KMT2A (0.48) LCKRAB9ANPC1SMN1; SMN2PKM
SCHEMBL15012676 0.78 HTT (0.48) NCEH1LCKRAB9ANPC1SMN1; SMN2
SCHEMBL7345962 0.77 PLAU (0.46) NCEH1PLAULCKMRGPRX4CYP11B1
SCHEMBL5566033 0.76 PLAU (0.64) PLAULCKRAB9ANPC1MRGPRX4
SCHEMBL23619741 0.76 TRPV4 (0.43) NCEH1PLAULCKSMN1; SMN2MRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7217794-B2 Compounds and methods for treatment of thrombosis DAIAMED, INC. (US) 2007-05-15 US disclosed
US-7217794-B2 Compounds and methods for treatment of thrombosis DAIAMED, INC. (US) 2007-05-15 US disclosed
WO-2004089297-A2 COMPOUNDS AND METHODS FOR TREATMENT OF THROMBOSIS SUNTORY PHARMACEUTICAL RESEARCH LABORATORIES, LLC (US) 2004-10-21 WO disclosed