SCHEMBL14577752

SCHEMBL14577752

C=C(C)C(=O)OCCCc1cc(C)c(O)c(-n2nc3ccc(C)cc3n2)c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.36
RAB9A P51151 5/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
TNKS2 Q9H2K2 1/20 0.35
LMNA P02545 1/20 0.34
KDM4E B2RXH2 4/20 0.34
MAPT P10636 3/20 0.34
TDP1 Q9NUW8 3/20 0.34
POLB P06746 3/20 0.34
HPGD P15428 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
TSHR P16473 2/20 0.32

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
SCHEMBL12107118 0.92 TNKS2 (0.44) NPC1RAB9AALDH1A1SMN1; SMN2TNKS2
SCHEMBL7268054 0.91 NPC1 (0.39) NPC1RAB9AALDH1A1SMN1; SMN2TNKS2
SCHEMBL14213069 0.89 NPC1 (0.34) NPC1RAB9AALDH1A1SMN1; SMN2TNKS2
SCHEMBL93349 0.87 POLB (0.38) NPC1RAB9AALDH1A1SMN1; SMN2TNKS2
SCHEMBL29404702 0.87 POLB (0.38) NPC1RAB9AALDH1A1SMN1; SMN2TNKS2
SCHEMBL4445599 0.85 NPC1 (0.40) NPC1RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL15867571 0.83 NPC1 (0.39) NPC1RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL14577960 0.83 NPC1 (0.34) NPC1RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL1004781 0.81 TNKS2 (0.43) TNKS2POLB
SCHEMBL7268063 0.81 NPC1 (0.46) NPC1RAB9AALDH1A1SMN1; SMN2LMNA

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-7173071-B2 Photo-cured and stabilized coatings CIBA SPECIALTY CHEMICALS CORPORATION (US) 2007-02-06 US disclosed