SCHEMBL22897570

SCHEMBL22897570

C=C(C)c1cc(C(C)C)c(NC(=O)CCl)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ MITF O75030 1/20 0.48
▸ THRB P10828 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ ALDH1A1 P00352 5/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ LPAR1 Q92633 5/20 0.41
▸ LMNA P02545 1/20 0.39
▸ HTT P42858 2/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ POLB P06746 1/20 0.37
▸ KCNK3 O14649 1/20 0.36
▸ KCNK9 Q9NPC2 1/20 0.36

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
SCHEMBL22897573 0.81 KDM4E (0.51) KDM4ENPC1MITFTHRBMAPK1
SCHEMBL22897694 0.72 SMN1; SMN2 (0.50) KDM4ENPC1MITFTHRBMAPK1
SCHEMBL22897594 0.69 GAA (0.44) KDM4ENPC1ALDH1A1POLBKCNK3
SCHEMBL28878057 0.69 KDM4E (0.53) KDM4ENPC1MITFTHRBMAPK1
SCHEMBL29559352 0.69 SMN1; SMN2 (0.49) KDM4ENPC1MITFTHRBMAPK1
SCHEMBL22897675 0.69 SMN1; SMN2 (0.49) KDM4ENPC1MITFTHRBMAPK1
SCHEMBL29559964 0.68 SMN1; SMN2 (0.51) KDM4ENPC1MITFTHRBMAPK1
SCHEMBL18579650 0.68 ALDH1A1 (0.48) KDM4ENPC1MITFTHRBMAPK1
SCHEMBL22897541 0.68 SMN1; SMN2 (0.51) KDM4ENPC1MITFTHRBMAPK1
SCHEMBL22897728 0.67 SMN1; SMN2 (0.58) KDM4ENPC1MITFTHRBMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021011722-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2021-01-21 — — WO disclosed
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