SCHEMBL7959238

SCHEMBL7959238

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNN4 O15554 1/20 0.44
▸ CES1 P23141 2/20 0.41
▸ HDAC3 O15379 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC7 Q8WUI4 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC10 Q969S8 1/20 0.40
▸ HDAC11 Q96DB2 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ HDAC9 Q9UKV0 1/20 0.40
▸ HDAC5 Q9UQL6 1/20 0.40
▸ KIF11 P52732 3/20 0.38
▸ CYP2C19 P33261 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ HTT P42858 2/20 0.36
▸ LMNA P02545 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
SCHEMBL7972466 0.85 KCNN4 (0.43) KCNN4CES1HDAC3HDAC4HDAC1
SCHEMBL36097 0.78 CES1 (0.59) KCNN4CES1CYP2C19HIF1AKMT2A
SCHEMBL2028143 0.75 KCNN4 (0.43) KCNN4CES1HDAC3HDAC4HDAC1
SCHEMBL28571765 0.75 PIN1 (0.47) KCNN4CES1MEN1KMT2AHTT
SCHEMBL5196298 0.75 KCNN4 (0.50) KCNN4CES1HDAC3HDAC4HDAC1
SCHEMBL2729130 0.75 CES1 (0.46) KCNN4CES1KIF11CYP2C19HIF1A
SCHEMBL7972488 0.75 LMNA (0.41) HDAC1HDAC2MEN1KMT2AHTT
SCHEMBL7975610 0.74 KCNN4 (0.34) KCNN4CES1HDAC3HDAC4HDAC1
SCHEMBL18901487 0.74 CES1 (0.44) KCNN4CES1KIF11CYP2C19HIF1A
SCHEMBL8199716 0.74 HDAC3 (0.47) KCNN4HDAC3HDAC4HDAC1HDAC7

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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