SCHEMBL11539633

SCHEMBL11539633

COC(C)C=Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.52
NFE2L2 Q16236 2/20 0.47
TUBB1 Q9H4B7 2/20 0.46
TUBB4A P04350 1/20 0.46
TUBB P07437 1/20 0.46
TUBA3C P0DPH7 1/20 0.46
TUBA1B P68363 1/20 0.46
TUBA4A P68366 1/20 0.46
TUBB4B P68371 1/20 0.46
TUBB3 Q13509 1/20 0.46
TUBB2A Q13885 1/20 0.46
TUBB8 Q3ZCM7 1/20 0.46
TUBA3E Q6PEY2 1/20 0.46
TUBA1A Q71U36 1/20 0.46
TUBA1C Q9BQE3 1/20 0.46
TUBB6 Q9BUF5 1/20 0.46
TUBB2B Q9BVA1 1/20 0.46
CYP1A1 P04798 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP1B1 Q16678 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
SCHEMBL12066326 1.00 TRPA1 (0.52) TRPA1NFE2L2TUBB1TUBB4ATUBB
SCHEMBL23357391 0.84 MAOB (0.44) TRPA1CYP1A2MEN1KMT2ATP53
SCHEMBL1972961 0.84 MAOB (0.44) TRPA1CYP1A2MEN1KMT2ATP53
SCHEMBL56244 0.81 MAOB (0.50) TRPA1NFE2L2CYP1A2MEN1KMT2A
SCHEMBL6844031 0.81 MAOB (0.50) TRPA1NFE2L2CYP1A2MEN1KMT2A
SCHEMBL13641995 0.81 HTR2A (0.41) TRPA1CYP1A2MEN1KMT2ATP53
SCHEMBL1470887 0.81 HTR2A (0.41) TRPA1CYP1A2MEN1KMT2ATP53
SCHEMBL30953550 0.81 RELA (0.55) NFE2L2TUBB1TUBB4ATUBBTUBA3C
SCHEMBL30953662 0.81 CYP3A4 (0.57) TRPA1NFE2L2TUBB1TUBB4ATUBB
SCHEMBL1532602 0.80 TRPA1 (0.48) TRPA1NFE2L2TUBB1TUBB4ATUBB

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
US-4133799-A Benzofuranylphenol stabilizers THE B. F. GOODRICH COMPANY (US) 1979-01-09 US disclosed
US-4054551-A Benzofuranylphenol stabilizers THE B. F. GOODRICH COMPANY (US) 1977-10-18 US disclosed
US-3940364-A Naphthofuranylnaphthol stabilizers THE B. F. GOODRICH COMPANY (US) 1976-02-24 US disclosed