SCHEMBL9064530

SCHEMBL9064530

Cc1cc(C(C)C)c(C(C)C)cc1C(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
TRPA1 O75762 2/20 0.37
CHRM1 P11229 1/20 0.37
SLC6A2 P23975 1/20 0.37
ADRA1A P35348 1/20 0.37
HTR2B P41595 1/20 0.37
GAA P10253 2/20 0.37
POLB P06746 1/20 0.35
GFER P55789 1/20 0.35
GABRA1 P14867 4/20 0.35
GABRB1 P18505 3/20 0.35
GABRB2 P47870 2/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
GPR55 Q9Y2T6 1/20 0.32
HTT P42858 1/20 0.32
PTGS1 P23219 1/20 0.32
CACNA1C Q13936 1/20 0.32

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
SCHEMBL8674907 0.94 LMNA (0.42) LMNACA1CA2TRPA1CHRM1
SCHEMBL4972071 0.88 LMNA (0.39) LMNACA1CA2TRPA1CHRM1
SCHEMBL8674666 0.87 LMNA (0.42) LMNACA1CA2TRPA1CHRM1
SCHEMBL371433 0.83 CA1 (0.47) LMNACA1CA2TRPA1CHRM1
SCHEMBL23430759 0.78 EIF4A3 (0.37) LMNACA1CA2TRPA1CHRM1
SCHEMBL1245089 0.78 LMNA (0.65) LMNACA1CA2TRPA1CHRM1
SCHEMBL20642320 0.78 EIF4A3 (0.37) LMNACA1CA2TRPA1CHRM1
SCHEMBL21145864 0.78 LMNA (0.48) LMNACA1CA2TRPA1CHRM1
SCHEMBL12297358 0.78 LMNA (0.59) LMNACA1CA2TRPA1CHRM1
SCHEMBL13588022 0.78 GABRA1 (0.34) LMNACA1CA2TRPA1CHRM1

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
US-4728632-A ODORLESS KOCH INDUSTRIES, INC. (US) 1988-03-01 US claimed
US-4680056-A Carbonless paper solvent utilizing triisopropyltoluene KOCH INDUSTRIES, INC. (US) 1987-07-14 US claimed
EP-0708074-A1 Process for the preparation of pyromellitic anhydride MITSUBISHI OIL CO., LTD. (JP) 1996-04-24 EP disclosed