SCHEMBL7972488

SCHEMBL7972488

CNC(=O)C(CO/N=C/c1ccccc1)(OC)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ FAAH O00519 4/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ ATM Q13315 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ PLA2G7 Q13093 1/20 0.38
▸ UNG P13051 1/20 0.37
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HTT P42858 2/20 0.35
▸ POLB P06746 1/20 0.35

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
SCHEMBL7959238 0.75 KCNN4 (0.44) LMNAHDAC1HDAC2ALDH1A1KDM4E
SCHEMBL7972466 0.74 KCNN4 (0.43) LMNAHDAC1HDAC2NPC1RAB9A
SCHEMBL7959265 0.73 ATM (0.48) LMNAHDAC1HDAC2FAAHNPC1
SCHEMBL8420258 0.73 ATM (0.48) LMNAHDAC1HDAC2FAAHNPC1
SCHEMBL23992348 0.71 SMN1; SMN2 (0.69) LMNAHDAC1HDAC2NPC1RAB9A
SCHEMBL7975610 0.69 KCNN4 (0.34) HDAC1HDAC2ATMKDM4EMEN1
SCHEMBL24265020 0.69 NPC1 (0.43) LMNAHDAC1HDAC2FAAHNPC1
SCHEMBL12495523 0.68 CYP2C9 (0.52) LMNANPC1RAB9AATMALDH1A1
SCHEMBL2028143 0.68 KCNN4 (0.43) LMNAHDAC1HDAC2ALDH1A1MEN1
SCHEMBL7969298 0.68 MEN1 (0.46) LMNAALDH1A1SMN1; SMN2KDM4EMEN1

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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