SCHEMBL22201801

SCHEMBL22201801

CCCC1CC2CCC1CC(CC(=O)N(C)Cc1ccccc1)C2

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.43
RAB9A P51151 3/20 0.43
TSPO P30536 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 2/20 0.40
MAPK1 P28482 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
ACHE P22303 1/20 0.38
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL13889647 0.73 NPC1 (0.60) NPC1RAB9ATSPOSMN1; SMN2KMT2A
SCHEMBL22201796 0.72 ALDH1A1 (0.52) KMT2AMAPK1L3MBTL1POLBMEN1
SCHEMBL4287111 0.72 MAPK1 (0.59) NPC1RAB9ATSPOSMN1; SMN2KMT2A
SCHEMBL22201707 0.67 USP30 (0.41) NPC1RAB9ASMN1; SMN2
SCHEMBL1690816 0.65 NPC1 (0.82) NPC1RAB9ATSPOSMN1; SMN2KMT2A
SCHEMBL544272 0.65 NPC1 (0.75) NPC1RAB9ATSPOSMN1; SMN2KMT2A
SCHEMBL3163935 0.65 NPC1 (0.75) NPC1RAB9ATSPOSMN1; SMN2KMT2A
SCHEMBL4073987 0.65 NPC1 (0.64) NPC1RAB9ASMN1; SMN2KMT2AMAPK1
SCHEMBL7128011 0.64 MEN1 (0.37) NPC1RAB9AKMT2AMAPK1L3MBTL1
SCHEMBL991685 0.64 RAB9A (0.72) NPC1RAB9ATSPOSMN1; SMN2KMT2A

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-20200216670-A1 THERMOSETTING SILICON-CONTAINING COMPOUND, COMPOSITION FOR FORMING A SILICON-CONTAINING FILM, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-07-09 US disclosed