SCHEMBL11136167

SCHEMBL11136167

COP(=O)(C(C)=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
LMNA P02545 2/20 0.43
CA2 P00918 2/20 0.43
CA4 P22748 1/20 0.43
CA5A P35218 1/20 0.43
ALDH1A1 P00352 2/20 0.42
USP2 O75604 1/20 0.41
ESR1 P03372 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 3/20 0.39
KMT2A Q03164 3/20 0.39
TSHR P16473 2/20 0.39
CFTR P13569 1/20 0.39
MEN1 O00255 2/20 0.39
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL18040244 0.80 POLB (0.49) POLBLMNACA2CA4CA5A
SCHEMBL56655 0.79 ALDH1A1 (0.44) POLBLMNACA2CA4CA5A
SCHEMBL57751 0.79 POLB (0.43) POLBLMNACA2CA4CA5A
SCHEMBL14181491 0.77 POLB (0.46) POLBLMNACA2CA4CA5A
SCHEMBL57452 0.77 TSHR (0.44) POLBLMNACA2CA4CA5A
SCHEMBL24033691 0.74 GAA (0.42) POLBLMNACA2CA4CA5A
SCHEMBL57794 0.74 NPC1 (0.45) POLBLMNAALDH1A1KMT2ATSHR
SCHEMBL58133 0.74 CES2 (0.47) POLBLMNAALDH1A1TDP1KMT2A
SCHEMBL2770323 0.74 POLB (0.40) POLBLMNACA2CA4CA5A
SCHEMBL3243587 0.73 CA12 (0.53) POLBCA2ALDH1A1L3MBTL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0009348-B1 PESTICIDALLY ACTIVE SALTS AND COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THEIR MANUFACTURE AND USE FBC LIMITED (GB) 1983-07-20 EP disclosed
US-4339443-A Compounds and compositions FBC LIMITED (GB) 1982-07-13 US disclosed
EP-0009348-A2 Pesticidally active salts and compositions containing them and processes for their manufacture and use FBC LIMITED (GB) 1980-04-02 EP disclosed