SCHEMBL9422308

SCHEMBL9422308

CC(C)c1cc(CCC(=O)NN)cc(C(C)C)c1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 4/20 0.59
▸ TRPA1 O75762 1/20 0.49
▸ GSR P00390 1/20 0.45
▸ GABRA1 P14867 5/20 0.44
▸ GABRB1 P18505 5/20 0.44
▸ GABRB2 P47870 2/20 0.44
▸ GABRA5 P31644 1/20 0.44
▸ GABRA3 P34903 1/20 0.44
▸ GABRA2 P47869 1/20 0.44
▸ GABRA4 P48169 1/20 0.44
▸ GABRA6 Q16445 1/20 0.44
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ KMT2A Q03164 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41

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
SCHEMBL27261832 0.85 TRPA1 (0.50) GAATRPA1GSRGABRA1GABRB1
SCHEMBL9556774 0.84 TRPA1 (0.49) GAATRPA1GSRGABRA1GABRB1
SCHEMBL9198461 0.80 TRPA1 (0.54) GAATRPA1GSRGABRA1GABRB1
SCHEMBL9519785 0.80 TRPA1 (0.54) GAATRPA1GSRGABRA1GABRB1
SCHEMBL4328080 0.80 TRPA1 (0.61) GAATRPA1GSRGABRA1GABRB1
SCHEMBL4322717 0.79 TRPA1 (0.50) GAATRPA1GSRGABRA1GABRB1
SCHEMBL755804 0.78 GAA (0.64) GAACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL11519193 0.78 TRPA1 (0.52) GAATRPA1GSRGABRA1GABRB1
SCHEMBL9422303 0.77 MEN1 (0.48) GAATRPA1KMT2A
SCHEMBL9625369 0.76 GAA (0.74) GAACYP1A2CYP3A4CYP2D6CYP2C9

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
EP-0382559-B1 Polymer composition TONEN SEKIYUKAGAKU KK (JP) 1994-11-02 — — EP disclosed
US-5216054-A Polyamide, polyolefin, carboxylic acid modified polyolefin, substituted hydrazine, hindered phenol, phosphite, thiodipropionate; aging resistance and resistance to copper-caused deterioration TONEN SEKIYUKAGAKU KABUSHIKI KAISHA (JP) 1993-06-01 — — US disclosed
EP-0382559-A2 Polymer composition Tonen Chemical Corporation (JP) 1990-08-16 — — EP disclosed
US-4306930-A INCORPORATING A HYDRAZIDE OR DIHYDRAZIDE AND THEN VULCANIZING IN CONTACT WITH A METAL CIBA-GEIGY CORPORATION (US) 1981-12-22 — — US disclosed
US-4077948-A N-SALICYLIDENE-N*-SALICYLHYDRAZIDES CIBA-GEIGY CORPORATION (US) 1978-03-07 — — US disclosed
US-3994987-A Metal deactivators as adhesion promotors for vulcanizable elastomers to metals CIBA-GEIGY CORPORATION (US) 1976-11-30 — — US disclosed
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