SCHEMBL8767270

SCHEMBL8767270

CC(C)Cc1cc(CCC(=O)Cl)cc(CC(C)C)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.43
GABRB2 P47870 2/20 0.43
ALOX5 P09917 2/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
THRA P10827 2/20 0.38
THRB P10828 2/20 0.38
TRPA1 O75762 1/20 0.35
AKR1C2 P52895 1/20 0.35
AKR1C1 Q04828 1/20 0.35
FFAR4 Q5NUL3 1/20 0.33
GAA P10253 1/20 0.33
TP53 P04637 1/20 0.32
MDM2 Q00987 1/20 0.32
ALDH1A1 P00352 1/20 0.32
FAAH O00519 1/20 0.32
BCL2L1 Q07817 1/20 0.32
MCL1 Q07820 1/20 0.32
FFAR1 O14842 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
SCHEMBL9110427 0.86 ALOX5 (0.36) ALOX5NFKB1NFKB2RELATHRA
SCHEMBL17260612 0.85 THRA (0.49) GABRA1GABRB2ALOX5NFKB1NFKB2
SCHEMBL815527 0.85 GABRA1 (0.44) GABRA1GABRB2ALOX5NFKB1NFKB2
SCHEMBL816093 0.81 ALOX5 (0.49) GABRA1GABRB2ALOX5NFKB1NFKB2
SCHEMBL9971674 0.78 CYP4F2 (0.49) GABRA1GABRB2ALOX5NFKB1NFKB2
SCHEMBL17260589 0.77 THRA (0.46) GABRA1GABRB2ALOX5NFKB1NFKB2
SCHEMBL10015715 0.77 ALOX5 (0.44) GABRA1GABRB2ALOX5NFKB1NFKB2
SCHEMBL16182674 0.77 GABRA1 (0.50) GABRA1GABRB2ALOX5NFKB1NFKB2
SCHEMBL28002486 0.77 ALDH1A1 (0.44) GABRA1GABRB2ALOX5THRATHRB
SCHEMBL28666259 0.76 THRA (0.47) GABRA1GABRB2ALOX5NFKB1NFKB2

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
EP-0633877-B1 NOVEL PHENOLIC-HYDRAZIDE COMPOUNDS AND POLYOLEFIN COMPOSITIONS STABILIZED THEREWITH EASTMAN CHEM CO (US) 1997-08-20 EP disclosed
US-5319127-A Metal deactivator and antioxidant; useful for coating copper wire EASTMAN CHEMICAL COMPANY (US) 1994-06-07 US disclosed
US-5302744-A Phenolic-hydrazide compounds and polyolefin compositions stabilized therewith EASTMAN KODAK COMPANY (US) 1994-04-12 US disclosed