SCHEMBL30240899

SCHEMBL30240899

CC(C)(C)c1cc(CCO)cc(-n2nc3ccc(Cl)cc3n2)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 9/20 0.36
HPGD P15428 4/20 0.36
GAA P10253 4/20 0.36
LMNA P02545 3/20 0.36
POLB P06746 2/20 0.36
TSHR P16473 2/20 0.36
THRB P10828 1/20 0.36
KDM4E B2RXH2 7/20 0.34
MAPT P10636 4/20 0.34
MAPK1 P28482 3/20 0.34
GSR P00390 2/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALOX15 P16050 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
KMT2A Q03164 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL77250 1.00 NPC1 (0.37) NPC1RAB9AALDH1A1HPGDGAA
SCHEMBL4207567 0.93 NPC1 (0.36) NPC1RAB9AALDH1A1HPGDGAA
SCHEMBL14423818 0.91 NPC1 (0.37) NPC1RAB9AALDH1A1HPGDGAA
SCHEMBL16096507 0.90 NPC1 (0.36) NPC1RAB9AALDH1A1HPGDGAA
SCHEMBL6908032 0.89 NPC1 (0.36) NPC1RAB9AALDH1A1GAAKDM4E
SCHEMBL29807700 0.88 HSPA5 (0.43) NPC1RAB9AALDH1A1HPGDGAA
SCHEMBL9340775 0.88 HSPA5 (0.43) NPC1RAB9AALDH1A1HPGDGAA
SCHEMBL13700451 0.88 ALDH1A1 (0.39) NPC1RAB9AALDH1A1HPGDGAA
SCHEMBL6837010 0.87 NPC1 (0.38) NPC1RAB9AALDH1A1HPGDGAA
SCHEMBL19884685 0.87 NPC1 (0.38) NPC1RAB9AALDH1A1HPGDGAA

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
CN-110662817-B Near-infrared-shielding ultrafine particle dispersion, near-infrared-shielding intermediate film, near-infrared-shielding sandwich structure, and method for producing near-infrared-shielding ultrafine particle dispersion 住友金属矿山株式会社 2023-02-17 CN disclosed