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SCHEMBL9806543

SCHEMBL9806543

CCCCOC(C)c1ccc2c(c1C(=O)[O-])Cc1ccccc1O2.CCCCOC(C)c1ccc2c(c1C(=O)[O-])Cc1ccccc1O2.CCCCOC(C)c1ccc2c(c1C(=O)[O-])Cc1ccccc1O2.[Cr+3]

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 2/20 0.32
▸ ACSL1 P33121 1/20 0.32
▸ MAOA P21397 1/20 0.32
▸ MAOB P27338 1/20 0.32
▸ MAPT P10636 1/20 0.31
▸ KDR P35968 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ PPARG P37231 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
SCHEMBL9305640 0.98 PPARG (0.32) TRPA1ACSL1MAOAMAOBMAPT
SCHEMBL9806630 0.98 TRPA1 (0.32) TRPA1ACSL1MAOAMAOBMAPT
SCHEMBL9778939 0.90 TRPA1 (0.31) TRPA1ACSL1PPARG
SCHEMBL9778585 0.90 ACSL1 (0.35) TRPA1ACSL1MAOAMAOBMAPT
SCHEMBL9806604 0.89 MAOA (0.35) ACSL1MAOAMAOBMAPT
SCHEMBL9871350 0.88 TRPA1 (0.40) TRPA1HSD17B10
SCHEMBL9778612 0.87 MAOA (0.35) ACSL1MAOAMAOBMAPT
Potassium Ion SCHEMBL9778711 0.87 MAOA (0.35) ACSL1MAOAMAOBMAPT
SCHEMBL2141177 0.87 MAOA (0.35) ACSL1MAOAMAOBMAPT
SCHEMBL9308114 0.87 MAOA (0.35) ACSL1MAOAMAOBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5035815-A Synergistic, antiwear EXXON RESEARCH AND ENGINEERING COMPANY (US) 1991-07-30 — — US disclosed
US-5034142-A Wear resistant compositions for engines EXXON RESEARCH AND ENGINEERING COMPANY (US) 1991-07-23 — — US disclosed