SCHEMBL10547149

SCHEMBL10547149

Cc1ccc(C)c(C(C)C)c1C

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
TRPA1 O75762 2/20 0.36
PTGS1 P23219 1/20 0.36
CACNA1C Q13936 1/20 0.36
CYP1A2 P05177 2/20 0.33
CYP2A6 P11509 1/20 0.33
TSHR P16473 1/20 0.33
TDP2 O95551 1/20 0.33
NSD2 O96028 1/20 0.33
HSP90AA1 P07900 1/20 0.33
PAX8 Q06710 1/20 0.33
POLB P06746 1/20 0.31
ATM Q13315 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
SCHEMBL1292739 0.81 LMNA (0.37) LMNATRPA1PTGS1CACNA1CCYP1A2
SCHEMBL24592517 0.81 LMNA (0.37) LMNATRPA1PTGS1CACNA1CCYP1A2
SCHEMBL20285910 0.79 LMNA (0.33) LMNATRPA1PTGS1CACNA1C
SCHEMBL22222494 0.79 ACHE (0.33) LMNATRPA1PTGS1CACNA1C
SCHEMBL9945902 0.79 CHRM2 (0.34) LMNATRPA1PTGS1CACNA1C
SCHEMBL23841342 0.79 TRPA1 (0.45) LMNATRPA1PTGS1CACNA1CTSHR
SCHEMBL9420713 0.79 LMNA (0.33) LMNATRPA1PTGS1CACNA1C
SCHEMBL20866895 0.79 LMNA (0.32) LMNATRPA1PTGS1CACNA1C
SCHEMBL1970931 0.79 TRPA1 (0.45) LMNATRPA1PTGS1CACNA1CTSHR
SCHEMBL16955746 0.78 CYP1A2 (0.31) LMNACYP1A2CYP2A6TSHRTDP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4252545-A COOLING CHEMISCHE WERKE HULS AG (DE) 1981-02-24 US claimed
US-4828762-A 2,3,6-TRIMETHYLPHENOL, OXYGEN, ALKALI METAL OR AMMONIUM COPPER HALIDE COMPLEX CATALYST MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1989-05-09 US disclosed
EP-0127888-B1 PROCESS FOR THE PRODUCTION OF 2,3,5-TRIMETHYLBENZOQUINONE MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1987-01-14 EP disclosed
EP-0167153-A1 Process for the preparation of 2,3,5-trimethylbenzoquinone MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1986-01-08 EP disclosed
EP-0127888-A1 Process for the production of 2,3,5-trimethylbenzoquinone MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1984-12-12 EP disclosed
US-4252545-A COOLING CHEMISCHE WERKE HULS AG (DE) 1981-02-24 US disclosed