SCHEMBL2814627

SCHEMBL2814627

C=C(C)C(=O)C(C=O)c1cc(-n2nc3ccccc3n2)c(O)c(C(C)(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
POLB P06746 1/20 0.35
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.33
F2R P25116 1/20 0.32
CACNA1A O00555 1/20 0.31
CACNA2D1 P54289 1/20 0.31
CACNB1 Q02641 1/20 0.31
IDH1 O75874 4/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
TNFRSF1A P19438 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL2812878 0.81 NPC1 (0.36) NPC1RAB9APOLBALDH1A1SMN1; SMN2
SCHEMBL25409231 0.79 NPC1 (0.36) NPC1RAB9APOLBALDH1A1SMN1; SMN2
SCHEMBL9467984 0.77 NPC1 (0.46) NPC1RAB9APOLBALDH1A1SMN1; SMN2
SCHEMBL4941317 0.77 NPC1 (0.41) NPC1RAB9APOLBALDH1A1SMN1; SMN2
SCHEMBL132431 0.76 CACNA1A (0.40) NPC1RAB9APOLBALDH1A1SMN1; SMN2
SCHEMBL27170339 0.76 CACNA1A (0.43) NPC1RAB9APOLBALDH1A1SMN1; SMN2
SCHEMBL29985200 0.76 NPC1 (0.40) NPC1RAB9APOLBALDH1A1SMN1; SMN2
SCHEMBL25409885 0.75 NPC1 (0.36) NPC1RAB9APOLBALDH1A1SMN1; SMN2
SCHEMBL2777176 0.74 NPC1 (0.41) NPC1RAB9APOLBALDH1A1SMN1; SMN2
SCHEMBL4447500 0.74 ALDH1A1 (0.44) NPC1RAB9APOLBALDH1A1SMN1; 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-20100243030-A1 SUBSTRATE AND POSITIONING METHOD THEREOF, PHOTOELECTRIC CONVERSION DEVICE AND MANUFACTURING METHOD AND APPARATUS THEREFOR, AND SOLAR CELL FUJIFILM CORPORATION (JP) 2010-09-30 US disclosed