SCHEMBL9063441

SCHEMBL9063441

CCc1ccc(C(C)C)c(C(C)C)c1C(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.34
GABRA1 P14867 4/20 0.31
GABRG2 P18507 2/20 0.31
GABRB3 P28472 2/20 0.31
LMNA P02545 2/20 0.30
SLC6A2 P23975 2/20 0.30
HTR2B P41595 2/20 0.30
TRPA1 O75762 1/20 0.30
CHRM1 P11229 1/20 0.30
ADRA1A P35348 1/20 0.30
GABRB2 P47870 3/20 0.30
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
FAAH O00519 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
GABRB1 P18505 1/20 0.30
PTGS1 P23219 1/20 0.30

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
SCHEMBL9063999 0.83 GABRA1 (0.33) ACE2GABRA1GABRG2GABRB3
SCHEMBL22013194 0.82 AOC1 (0.32) ACE2GABRA1GABRG2GABRB3LMNA
SCHEMBL11554595 0.80 SMN1; SMN2 (0.31) ACE2GABRA1GABRG2GABRB3
SCHEMBL28186285 0.80 ACE2 (0.44) ACE2GABRA1GABRG2GABRB3LMNA
SCHEMBL3088973 0.80 GABRA1 (0.43) GABRA1GABRG2GABRB3LMNASLC6A2
SCHEMBL3250855 0.80 GABRA1 (0.30) ACE2GABRA1GABRG2GABRB3
SCHEMBL1292825 0.80 GABRA1 (0.41) GABRA1GABRG2GABRB3LMNASLC6A2
SCHEMBL3249692 0.79 ACE2 (0.31) ACE2
SCHEMBL840511 0.78 ACE2 (0.36) ACE2GABRA1GABRG2GABRB3CA1
SCHEMBL9064407 0.77 TAAR1 (0.33) CA1CA2

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
JP-8119969-A None JP disclosed
JP-H08119969-A PRODUCTION OF PYROMELLITIC ANHYDRIDE MITSUBISHI OIL CO LTD 1996-05-14 JP disclosed
EP-0708074-A1 Process for the preparation of pyromellitic anhydride MITSUBISHI OIL CO., LTD. (JP) 1996-04-24 EP disclosed