SCHEMBL18586645

SCHEMBL18586645

COC(C)c1ccc(C)cc1C(Cl)C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ SRC P12931 1/20 0.34

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
SCHEMBL31401522 0.76 NNMT (0.39) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL7282855 0.76 MEN1 (0.38) —
SCHEMBL22587303 0.76 ALOX15 (0.42) —
SCHEMBL18586995 0.75 SRC (0.36) SRC
SCHEMBL18586647 0.72 KDM4E (0.37) SRC
SCHEMBL15899203 0.70 L3MBTL1 (0.38) —
SCHEMBL18586458 0.70 SRC (0.36) SRC
SCHEMBL22897719 0.70 CYP3A4 (0.46) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL18579593 0.70 ALDH1A1 (0.48) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL8750414 0.69 TRPA1 (0.42) TRPA1LMNACHRM1SLC6A2ADRA1A

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
EP-3344599-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO Dow Agrosciences LLC (US) 2018-07-11 — — EP disclosed
WO-2017040191-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2017-03-09 — — WO disclosed
Send feedback