SCHEMBL14620481

SCHEMBL14620481

COC(=O)CC=C(NC(C)=O)c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.40
EPHX1 P07099 1/20 0.39
HPGD P15428 2/20 0.38
MAPT P10636 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 2/20 0.38
GAA P10253 1/20 0.38
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
KCNH2 Q12809 1/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.36
HTT P42858 1/20 0.36
NLRP1 Q9C000 1/20 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
SCHEMBL14620482 0.88 TDP1 (0.44) HPGDMAPTMEN1KMT2ANPSR1
SCHEMBL14620125 0.85 MEN1 (0.47) EPHX1HPGDMAPTMEN1KMT2A
SCHEMBL14620126 0.85 CA1 (0.45) MAPTALDH1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL14620480 0.85 SMN1; SMN2 (0.44) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL14620353 0.85 MTNR1A (0.44) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL8403295 0.77 EPHX1 (0.47) EPHX1HPGDMAPTMEN1KMT2A
SCHEMBL14588757 0.77 SMN1; SMN2 (0.44) EPHX1HPGDMAPTMEN1KMT2A
SCHEMBL14620311 0.72 CTSD (0.49) HPGDKMT2AGAALMNASMN1; SMN2
SCHEMBL14620458 0.72 SMN1; SMN2 (0.40) EPHX1HPGDMAPTMEN1KMT2A
SCHEMBL1531237 0.72 ERCC5 (0.58) HPGDMAPTMEN1KMT2AALDH1A1

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-7169953-B2 P-chiral phospholanes and phosphocyclic compounds and their use in asymmetric catalytic reactions THE PENN STATE RESEARCH FOUNDATION (US) 2007-01-30 US disclosed