SCHEMBL2500689

SCHEMBL2500689

Cc1cccc(C)c1O.Cc1cccc(O)c1C

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.85
ATM Q13315 1/20 0.85
ALDH1A1 P00352 5/20 0.70
GABRA1 P14867 2/20 0.52
GABRB2 P47870 2/20 0.52
HSD17B10 Q99714 5/20 0.46
HPGD P15428 3/20 0.46
LMNA P02545 3/20 0.46
ALOX15 P16050 2/20 0.46
RECQL P46063 2/20 0.46
CA2 P00918 2/20 0.46
ADAMTS4 O75173 1/20 0.46
EGFR P00533 1/20 0.46
CA1 P00915 1/20 0.46
FYN P06241 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
CA6 P23280 1/20 0.46
CDK2 P24941 1/20 0.46

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
SCHEMBL5940935 0.92 TRPA1 (1.00) TRPA1ATMALDH1A1GABRA1GABRB2
SCHEMBL29622820 0.92
SCHEMBL3498 0.92
SCHEMBL5658340 0.90 TRPA1 (0.94) TRPA1ATMALDH1A1GABRA1GABRB2
Bromide SCHEMBL1732344 0.90 TRPA1 (0.94) TRPA1ATMALDH1A1GABRA1GABRB2
Hydrochloric Acid SCHEMBL7070510 0.90 TRPA1 (0.94) TRPA1ATMALDH1A1GABRA1GABRB2
SCHEMBL11303423 0.90 TRPA1 (0.94) TRPA1ATMALDH1A1GABRA1GABRB2
Methyl Alcohol SCHEMBL6064777 0.90 TRPA1 (0.94) TRPA1ATMALDH1A1GABRA1GABRB2
Ammonia Solution, Strong SCHEMBL3744582 0.90 TRPA1 (0.94) TRPA1ATMALDH1A1GABRA1GABRB2
Phosphine SCHEMBL18662384 0.90 TRPA1 (0.94) TRPA1ATMALDH1A1GABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109251132-A A kind of method that 2,6- xylenol isomery is combined to high added value xylenol 西北化工研究院有限公司 2019-01-22 CN disclosed
US-8039560-B1 Low dielectric brominated resin with a symmetric or saturated heterocyclic alphatic molecular structure and the preparation thereof NAN YA PLASTICS CORPORATION (TW) 2011-10-18 US disclosed
EP-2374828-A1 Preparation of a low dielectric brominated resin with a symmetric or saturated heterocyclic aliphatic molecular structure and composition comprising said resin Nan-Ya Plastics Corporation (TW) 2011-10-12 EP disclosed
US-20110245431-A1 LOW DIELECTRIC BROMINATED RESIN WITH A SYMMETRIC OR SATURATED HETEROCYCLIC ALPHATIC MOLECULAR STRUCTURE AND THE PREPARATION THEREOF NAN YA PLASTICS CORPORATION (TW) 2011-10-06 US disclosed