SCHEMBL10428341

SCHEMBL10428341

C#CCn1cc(C=O)cc1C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PADI4 Q9UM07 1/20 0.32
UNG P13051 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TRIM24 O15164 1/20 0.31
TRIM33 Q9UPN9 1/20 0.31
HDAC8 Q9BY41 1/20 0.31

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
SCHEMBL10428345 0.75 MCL1 (0.30)
SCHEMBL1441399 0.68 HDAC8 (0.47) UNGALDH1A1TRIM24TRIM33HDAC8
SCHEMBL16194600 0.68 MEN1 (0.38) PADI4ALDH1A1
SCHEMBL10428510 0.66 KMT2A (0.41) ALDH1A1HDAC8
SCHEMBL9521034 0.60 MEN1 (0.32) ALDH1A1
SCHEMBL14969038 0.58 MET (0.38)
SCHEMBL31430067 0.58 ATM (0.41) ALDH1A1
SCHEMBL10428742 0.56 L3MBTL1 (0.36)
SCHEMBL16655286 0.55 ADORA2B (0.33)
SCHEMBL3387788 0.54 HDAC8 (0.51) ALDH1A1HDAC8

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-0176387-B1 PYRROLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR APPLICATION AS PESTICIDES ROUSSEL-UCLAF (FR) 1990-11-22 EP disclosed
EP-0176387-A1 Pyrrole derivatives, process for their preparation and their application as pesticides ROUSSEL-UCLAF (FR) 1986-04-02 EP disclosed