SCHEMBL7969298

SCHEMBL7969298

CNC(=O)C(COc1cc(C)cc(C)c1C)(OC)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ ALDH1A1 P00352 4/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ LMNA P02545 3/20 0.43
▸ MAPK1 P28482 3/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ HTT P42858 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.38
▸ CYP2C9 P11712 1/20 0.37
▸ CDC7 O00311 1/20 0.37
▸ MARK3 P27448 1/20 0.37
▸ AXL P30530 1/20 0.37
▸ FRK P42685 1/20 0.37
▸ BLK P51451 1/20 0.37
▸ NEK4 P51957 1/20 0.37
▸ PRKCD Q05655 1/20 0.37
▸ MAP4K2 Q12851 1/20 0.37

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
SCHEMBL12495523 0.87 CYP2C9 (0.52) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL8422702 0.73 CYP2C9 (0.46) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL7959238 0.72 KCNN4 (0.44) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL7972466 0.71 KCNN4 (0.43) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL8424347 0.71 CYP2C9 (0.56) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL7969346 0.68 MRGPRX4 (0.49) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL7972488 0.68 LMNA (0.41) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL12839869 0.67 NPSR1 (0.63) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL7975610 0.67 KCNN4 (0.34) MEN1KMT2AKDM4E
SCHEMBL2028143 0.66 KCNN4 (0.43) MEN1KMT2AALDH1A1LMNAL3MBTL1

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
US-6313150-B1 FOR CONTROLLING PHYTOPATHOGENIC FUNGI SHIONOGI & CO., LTD. (JP) 2001-11-06 — — US disclosed
EP-0754672-B1 GAMMA-SUBSTITUTED PHENYLACETIC ACID DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND AGRICULTURAL BACTERICIDE CONTAINING THE SAME SHIONOGI & CO (JP) 2000-10-11 — — EP disclosed
US-5948819-A α-substituted phenylacetic acid derivative, its production and agricultural fungicide containing it SHIONOGI & CO., LTD (JP) 1999-09-07 — — US disclosed
EP-0754672-A1 GAMMA-SUBSTITUTED PHENYLACETIC ACID DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND AGRICULTURAL BACTERICIDE CONTAINING THE SAME SHIONOGI & CO., LTD. (JP) 1997-01-22 — — EP disclosed
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