SCHEMBL14620482

SCHEMBL14620482

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.44
ALDH1A1 P00352 10/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
PKM P14618 3/20 0.38
HTT P42858 2/20 0.38
ATM Q13315 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 1/20 0.38
NLRP1 Q9C000 1/20 0.38
GAA P10253 1/20 0.38
NTSR1 P30989 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37

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
SCHEMBL14620126 0.88 CA1 (0.45) ALDH1A1MAPTPKMHTTLMNA
SCHEMBL14620480 0.88 SMN1; SMN2 (0.44) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL14620481 0.88 PTGS2 (0.40) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL14620125 0.88 MEN1 (0.47) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL14620353 0.88 MTNR1A (0.44) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL14620458 0.78 SMN1; SMN2 (0.40) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL14588759 0.78 TDP1 (0.47) TDP1ALDH1A1MAPTKDM4EMEN1
SCHEMBL7731897 0.76 TDP1 (0.42) TDP1ALDH1A1MAPTKDM4EMEN1
SCHEMBL14620311 0.75 CTSD (0.49) KMT2ALMNASMN1; SMN2HPGDGAA
SCHEMBL1201267 0.72 NPC1 (0.62) TDP1ALDH1A1MAPTKDM4EMEN1

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