SCHEMBL2812878

SCHEMBL2812878

C=C(C)C(=O)C(C=O)c1cc(C(C)(C)C)cc(-n2nc3ccccc3n2)c1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
POLB P06746 2/20 0.35
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.33
MAPT P10636 2/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
KMT2A Q03164 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL2814627 0.81 NPC1 (0.36) NPC1RAB9APOLBALDH1A1SMN1; SMN2
SCHEMBL9468591 0.77 NPC1 (0.46) NPC1RAB9APOLBALDH1A1SMN1; SMN2
SCHEMBL4447229 0.75 NPC1 (0.44) NPC1RAB9APOLBALDH1A1SMN1; SMN2
SCHEMBL4441567 0.74 NPC1 (0.39) NPC1RAB9APOLBALDH1A1SMN1; SMN2
SCHEMBL1264001 0.74 NPC1 (0.45) NPC1RAB9APOLBALDH1A1SMN1; SMN2
SCHEMBL2814977 0.74 NPC1 (0.45) NPC1RAB9APOLBALDH1A1SMN1; SMN2
SCHEMBL78803 0.73 NPC1 (0.45) NPC1RAB9APOLBALDH1A1SMN1; SMN2
SCHEMBL29463599 0.73 NPC1 (0.45) NPC1RAB9APOLBALDH1A1SMN1; SMN2
SCHEMBL31252554 0.73 NPC1 (0.40) NPC1RAB9APOLBALDH1A1LMNA
SCHEMBL20394044 0.73 NPC1 (0.40) NPC1RAB9APOLBALDH1A1LMNA

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