SCHEMBL28344571

SCHEMBL28344571

CC(C)c1cc(-c2ccccc2-n2nc3ccccc3n2)c(O)c(C(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
GABRA1 P14867 3/20 0.41
GABRB2 P47870 2/20 0.41
LMNA P02545 2/20 0.41
POLB P06746 2/20 0.38
RXRA P19793 1/20 0.35
KDM4E B2RXH2 1/20 0.35
BCL2 P10415 3/20 0.34
MCL1 Q07820 1/20 0.34
ALDH1A1 P00352 2/20 0.33
GABRB1 P18505 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
CYP1A2 P05177 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
SCHEMBL29373203 1.00 NPC1 (0.42) NPC1RAB9AGABRA1GABRB2LMNA
SCHEMBL4357048 0.84 NPC1 (0.50) NPC1RAB9AGABRA1GABRB2LMNA
SCHEMBL28344569 0.80 NPC1 (0.44) NPC1RAB9AGABRA1GABRB2LMNA
SCHEMBL28646186 0.78 NPC1 (0.42) NPC1RAB9AGABRA1GABRB2LMNA
SCHEMBL27529319 0.78 RAB9A (0.39) NPC1RAB9AGABRA1GABRB2LMNA
SCHEMBL15064751 0.75 GABRA1 (0.68) GABRA1GABRB2LMNARXRAGABRB1
SCHEMBL28349955 0.75 NPC1 (0.37) NPC1RAB9AGABRA1GABRB2LMNA
SCHEMBL11619455 0.75 GABRA1 (0.52) NPC1RAB9AGABRA1GABRB2LMNA
SCHEMBL27904729 0.75 NPC1 (0.44) NPC1RAB9AGABRA1GABRB2LMNA
SCHEMBL2631640 0.74 NPC1 (0.64) NPC1RAB9AGABRA1GABRB2LMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111065674-B Composition, thermoplastic resin composition using the same, and molded article thereof 株式会社ADEKA 2022-02-22 CN disclosed
CN-111051412-B Composition, thermoplastic resin composition using the same, and molded article thereof 株式会社ADEKA 2022-02-08 CN disclosed
CN-110382559-B Method for producing stabilized olefin resin composition 株式会社ADEKA 2021-10-29 CN disclosed
CN-109415482-B Aqueous polyurethane resin composition 株式会社艾迪科 2021-06-18 CN disclosed
CN-110678448-A Triazine compound, curable composition, method for producing cured product, and cured product thereof 株式会社ADEKA 2020-01-10 CN disclosed