SCHEMBL28400520

SCHEMBL28400520

CC(C)(C)CC(C)(C)C.O=C1c2cccc1c2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
POLB P06746 3/20 0.33
GRM2 Q14416 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HTT P42858 2/20 0.33
MAPT P10636 1/20 0.33
NPC1 O15118 2/20 0.32
CASP3 P42574 2/20 0.32
RAB9A P51151 2/20 0.32
SENP8 Q96LD8 2/20 0.32
SENP7 Q9BQF6 2/20 0.32
SENP6 Q9GZR1 2/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
ATM Q13315 1/20 0.32
HDAC4 P56524 1/20 0.31

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
SCHEMBL28274474 0.80
SCHEMBL29139764 0.77 CA12 (0.48) CA12CA2CA9MEN1KMT2A
Methane SCHEMBL28403059 0.77
SCHEMBL10029714 0.77 CA12 (0.54) CA12CA2CA9MEN1KMT2A
Diethylamine SCHEMBL27501291 0.73 LMNA (0.38) CA12CA2CA9POLBSMN1; SMN2
Sulfur Dioxide SCHEMBL28360132 0.72 CA12 (0.44) CA12CA2CA9MEN1KMT2A
Acetic Acid SCHEMBL9680398 0.71 KMO (0.45) CA12CA2CA9MEN1KMT2A
SCHEMBL9079460 0.71 CA12 (0.45) CA12CA2CA9POLBMEN1
SCHEMBL29217281 0.71 CA12 (0.36) CA12CA2CA9SMN1; SMN2MAPT
SCHEMBL28143577 0.71 PTPN1 (0.41) KMT2AMAPTHDAC4HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107207733-B Novel crosslinking catalysts for silicone compositions 埃肯有机硅法国简易股份公司 2020-07-14 CN claimed
CN-107001634-B Crosslinking catalysts for silicone compositions 埃肯有机硅法国简易股份公司 2020-04-24 CN claimed
CN-107207733-B Novel crosslinking catalysts for silicone compositions 埃肯有机硅法国简易股份公司 2020-07-14 CN disclosed