SCHEMBL11488796

SCHEMBL11488796

CCOC(=O)C(=O)NNC(=O)c1ccc(OCC)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.59
NPC1 O15118 4/20 0.59
RAB9A P51151 3/20 0.59
HPGD P15428 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 2/20 0.52
MEN1 O00255 2/20 0.52
GAA P10253 2/20 0.52
KMT2A Q03164 2/20 0.52
MAPT P10636 1/20 0.52
CYP1A2 P05177 1/20 0.51
TAS1R3 Q7RTX0 1/20 0.51
TAS1R1 Q7RTX1 1/20 0.51
POLB P06746 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
PARP10 Q53GL7 1/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50

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
SCHEMBL25393959 0.87 SMN1; SMN2 (0.49) PLK1NPC1RAB9AALDH1A1KDM4E
SCHEMBL321802 0.86 GAA (0.64) NPC1RAB9ANPSR1ALDH1A1KDM4E
SCHEMBL29082317 0.83 POLB (0.56) NPC1RAB9AHPGDNPSR1ALDH1A1
SCHEMBL11488793 0.83 PLK1 (0.61) PLK1NPC1RAB9AHPGDNPSR1
SCHEMBL29082301 0.83 SMN1; SMN2 (0.72) NPC1RAB9AALDH1A1KDM4EMEN1
SCHEMBL25397951 0.83 GAA (0.66) RAB9ANPSR1ALDH1A1KDM4EMEN1
SCHEMBL1222782 0.83 SMN1; SMN2 (0.57) NPC1RAB9AALDH1A1KDM4EGAA
SCHEMBL19402619 0.82 PLK1 (0.69) PLK1NPC1RAB9AHPGDNPSR1
SCHEMBL16399046 0.81 NPSR1 (0.53) NPC1RAB9ANPSR1ALDH1A1KDM4E
SCHEMBL17213095 0.80 ALDH1A1 (0.59) ALDH1A1GAAKMT2ATDP1SMN1; SMN2

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-4212867-A FOR AGRICULTURAL USE PHILAGRO (FR) 1980-07-15 US disclosed