SCHEMBL23879425

SCHEMBL23879425

CC(C)C(c1ccc(N)cc1)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
MAPT P10636 3/20 0.44
KMT2A Q03164 3/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
ACHE P22303 1/20 0.41
ALDH1A1 P00352 10/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TDP1 Q9NUW8 7/20 0.38
CYP3A4 P08684 6/20 0.38
TP53 P04637 3/20 0.38
HIF1A Q16665 2/20 0.38
HTT P42858 2/20 0.38
GAA P10253 1/20 0.38
ALOX12 P18054 1/20 0.38
MAPK1 P28482 3/20 0.36

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
SCHEMBL8580985 0.87 ALDH1A1 (0.58) MEN1MAPTKMT2AALDH1A1NPC1
SCHEMBL5955 0.79 MAPT (0.53) MEN1MAPTKMT2AACHEALDH1A1
SCHEMBL12884230 0.78 MEN1 (0.44) MEN1MAPTKMT2AACHEALDH1A1
SCHEMBL9721076 0.78 MAPT (0.44) MEN1MAPTKMT2AACHEALDH1A1
SCHEMBL8095943 0.77 ESR1 (0.52) MEN1MAPTKMT2AACHEALDH1A1
SCHEMBL8164161 0.77 ESR1 (0.52) MEN1MAPTKMT2AACHEALDH1A1
SCHEMBL3482829 0.77 ESR1 (0.52) MEN1MAPTKMT2AACHEALDH1A1
Ammonia Solution, Strong SCHEMBL28370828 0.77 MAPT (0.50) MEN1MAPTKMT2AACHEALDH1A1
SCHEMBL7518483 0.77 MEN1 (0.50) MEN1MAPTKMT2AACHEALDH1A1
Water SCHEMBL4672027 0.77 MAPT (0.50) MEN1MAPTKMT2AACHEALDH1A1

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-11135564-B2 Porous polymer compositions for the synthesis of monolithic bimodal microporous/macroporous carbon compositions useful for selective CO2 sequestration ASPEN AEROGELS, INC. (US) 2021-10-05 US disclosed