SCHEMBL9064264

SCHEMBL9064264

CCc1cc(C(C)C)c(C(C)C)c(C(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.38
PTGS2 P35354 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
DHFR P00374 1/20 0.31
GABRA1 P14867 4/20 0.31
GABRB1 P18505 4/20 0.31
GABRB2 P47870 2/20 0.31
TP53 P04637 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRA4 P48169 1/20 0.31
GABRA6 Q16445 1/20 0.31
MAPT P10636 1/20 0.31
SIGMAR1 Q99720 1/20 0.30
TRPA1 O75762 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
SCHEMBL9295950 0.80 GSR (0.38) GSRPTGS2CYP1A2CYP2A6CA1
SCHEMBL24674193 0.78 GSR (0.36) GSRPTGS2CYP1A2CYP2A6CA1
SCHEMBL2854879 0.78 GSR (0.61) GSRCYP1A2CA1CA2DHFR
SCHEMBL24673472 0.78 GSR (0.41) GSRPTGS2CYP1A2CYP2A6CA1
SCHEMBL11297222 0.78 GSR (0.36) GSRPTGS2CYP1A2CYP2A6CA1
SCHEMBL12985880 0.75 PNMT (0.38) PTGS2CYP1A2CYP2A6TP53
SCHEMBL20049460 0.73 PTGS2 (0.32) PTGS2CYP1A2CYP2A6
SCHEMBL9743445 0.73 TRPA1 (0.48) GSRPTGS2CYP1A2GABRA1GABRB2
SCHEMBL20642378 0.73 GSR (0.33) GSR
SCHEMBL27878373 0.73 CYP2A6 (0.39) GSRCYP2A6MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0708074-A1 Process for the preparation of pyromellitic anhydride MITSUBISHI OIL CO., LTD. (JP) 1996-04-24 EP disclosed