SCHEMBL14620311

SCHEMBL14620311

COC(=O)CC=C(NC(C)=O)c1ccccc1OC

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.49
NPC1 O15118 3/20 0.46
MAPK1 P28482 1/20 0.44
HPGD P15428 2/20 0.43
LMNA P02545 2/20 0.43
TP53 P04637 1/20 0.43
GLA P06280 1/20 0.43
KMT2A Q03164 1/20 0.43
STAT3 P40763 1/20 0.43
GAA P10253 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.42
RAB9A P51151 1/20 0.42
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KCNK3 O14649 1/20 0.41
KCNK9 Q9NPC2 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL14620458 0.86 SMN1; SMN2 (0.40) CTSDNPC1HPGDLMNAKMT2A
SCHEMBL14620353 0.81 MTNR1A (0.44) NPC1LMNAKMT2AGAARAB9A
SCHEMBL14588761 0.79 CTSD (0.47) CTSDNPC1MAPK1HPGDLMNA
SCHEMBL29138521 0.77 MAPT (0.46) CTSDNPC1MAPK1HPGDLMNA
SCHEMBL14620126 0.75 CA1 (0.45) NPC1LMNARAB9AMTNR1AMTNR1B
SCHEMBL14620480 0.75 SMN1; SMN2 (0.44) NPC1MAPK1KMT2AGAARAB9A
SCHEMBL447573 0.75 NPC1 (0.70) CTSDNPC1HPGDLMNATP53
SCHEMBL14620482 0.75 TDP1 (0.44) NPC1HPGDLMNAKMT2AGAA
SCHEMBL14620481 0.72 PTGS2 (0.40) NPC1HPGDLMNAKMT2AGAA
SCHEMBL14620125 0.72 MEN1 (0.47) NPC1MAPK1HPGDLMNAKMT2A

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