SCHEMBL29024873

SCHEMBL29024873

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

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
LMNA P02545 1/20 0.43
POLB P06746 2/20 0.42
KDM4E B2RXH2 3/20 0.39
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
ESR1 P03372 4/20 0.36
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
AR P10275 1/20 0.35
ESR2 Q92731 1/20 0.35
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CNR1 P21554 4/20 0.34
CNR2 P34972 4/20 0.34

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
SCHEMBL2464792 0.91 CNR2 (0.44) NPC1RAB9ALMNAPOLBKDM4E
SCHEMBL2467398 0.90 CNR2 (0.46) NPC1RAB9ALMNAPOLBCNR1
SCHEMBL8204058 0.85 NPC1 (0.48) NPC1RAB9ALMNAPOLBKDM4E
SCHEMBL29813370 0.83 NPC1 (0.54) NPC1RAB9ALMNAPOLBKDM4E
SCHEMBL108807 0.83 NPC1 (0.54) NPC1RAB9ALMNAPOLBKDM4E
SCHEMBL7588136 0.81 CNR1 (0.44) NPC1RAB9ALMNAPOLBCNR1
SCHEMBL673359 0.80 CNR1 (0.40) NPC1RAB9ALMNAPOLBCNR1
SCHEMBL8861285 0.80 NPC1 (0.50) NPC1RAB9ALMNAPOLBKDM4E
SCHEMBL139856 0.79 CNR1 (0.47) NPC1RAB9ALMNAPOLBCNR1
SCHEMBL22289027 0.79 CNR1 (0.42) NPC1RAB9ACNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113614138-B Two-component polyurethane coating with improved pot life without loss of weatherability 科思创知识产权两合公司 2024-03-29 CN disclosed
CN-111344328-B Method for manufacturing an article and use of a free radical crosslinkable resin in an additive manufacturing process 科思创德国股份有限公司 2023-05-30 CN disclosed