SCHEMBL14620458

SCHEMBL14620458

COC(=O)CC=C(NC(C)=O)c1ccccc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
ERCC5 P28715 1/20 0.39
FEN1 P39748 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
KMT2A Q03164 3/20 0.37
POLB P06746 2/20 0.37
MEN1 O00255 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KCNK3 O14649 1/20 0.37
KCNK9 Q9NPC2 1/20 0.37
HPGD P15428 3/20 0.37
EPHX1 P07099 1/20 0.37
LMNA P02545 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
ALOX12 P18054 1/20 0.36
CTSD P07339 1/20 0.36
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL14620311 0.86 CTSD (0.49) SMN1; SMN2NPC1RAB9AKMT2AL3MBTL1
SCHEMBL14620353 0.81 MTNR1A (0.44) NPC1RAB9AKMT2APOLBMEN1
SCHEMBL14588760 0.78 TSHR (0.48) SMN1; SMN2ERCC5FEN1NPC1RAB9A
SCHEMBL14620482 0.78 TDP1 (0.44) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL3166061 0.73 ERCC5 (0.62) SMN1; SMN2ERCC5FEN1NPC1RAB9A
SCHEMBL14620125 0.72 MEN1 (0.47) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL14620126 0.72 CA1 (0.45) SMN1; SMN2NPC1RAB9AL3MBTL1LMNA
SCHEMBL14620481 0.72 PTGS2 (0.40) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL14620480 0.72 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL17526417 0.69 NPC1 (0.46) SMN1; SMN2ERCC5FEN1NPC1RAB9A

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