SCHEMBL21747696

SCHEMBL21747696

C[C](C)C(c1ccccc1)C(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
SLC6A4 P31645 3/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A3 Q01959 2/20 0.41
RIPK1 Q13546 2/20 0.41
TRPA1 O75762 1/20 0.39
AOC3 Q16853 1/20 0.39
LMNA P02545 2/20 0.38
ADRA2A P08913 1/20 0.37
ADRA2C P18825 1/20 0.37
HIF1A Q16665 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.36
NOS2 P35228 1/20 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
SCHEMBL9637953 0.84 ATM (0.52) ATML3MBTL1SLC6A4SLC6A2SLC6A3
SCHEMBL8975800 0.82 L3MBTL1 (0.59) ATML3MBTL1SLC6A4SLC6A2SLC6A3
SCHEMBL1099435 0.81 ATM (0.40) ATML3MBTL1RIPK1TRPA1LMNA
SCHEMBL11241802 0.79 ATM (0.52) ATML3MBTL1SLC6A4SLC6A2SLC6A3
SCHEMBL17357501 0.79 L3MBTL1 (0.61) ATML3MBTL1SLC6A4SLC6A2SLC6A3
SCHEMBL66018 0.79 L3MBTL1 (0.61) ATML3MBTL1SLC6A4SLC6A2SLC6A3
SCHEMBL11480642 0.79 TRPA1 (0.43) ATML3MBTL1SLC6A4SLC6A2SLC6A3
SCHEMBL9542613 0.77 LMNA (0.44) ATML3MBTL1LMNAHPGD
SCHEMBL2416799 0.77 ATM (0.59) ATML3MBTL1SLC6A4SLC6A2SLC6A3
SCHEMBL1703642 0.76 ATM (0.58) ATML3MBTL1LMNAHIF1AKDM4E

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
EP-3544988-B1 INHIBITED NOBLE-METAL-FREE MIXTURE THAT CAN BE HYDROSILYLATED WACKER CHEMIE AG (DE) 2020-02-26 EP disclosed
CN-1250636-C Stable middle voltoge and high voltage cable insulation composition CIBA SC HOLDING AG (CH) 2006-04-12 CN disclosed