SCHEMBL11136704

SCHEMBL11136704

C[C](C)COS(=O)(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
PSIP1 O75475 1/20 0.43
PARL Q9H300 1/20 0.43
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
STAT3 P40763 1/20 0.41
MAPT P10636 3/20 0.40
MAPK1 P28482 3/20 0.40
HTR6 P50406 1/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
BCAT1 P54687 1/20 0.39
HSD11B1 P28845 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KMT2A Q03164 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
SCHEMBL11747444 0.86 POLB (0.44) POLBPSIP1PARLTSHRSMN1; SMN2
SCHEMBL2103375 0.85 POLB (0.43) POLBPSIP1PARLTSHRSMN1; SMN2
SCHEMBL18139552 0.83 POLB (0.42) POLBPSIP1PARLTSHRSMN1; SMN2
Ammonia Solution, Strong SCHEMBL18139371 0.83 POLB (0.42) POLBPSIP1PARLTSHRSMN1; SMN2
SCHEMBL18139447 0.83 POLB (0.42) POLBPSIP1PARLTSHRSMN1; SMN2
SCHEMBL18140667 0.83 POLB (0.42) POLBPSIP1PARLTSHRSMN1; SMN2
SCHEMBL18141291 0.83 POLB (0.42) POLBPSIP1PARLTSHRSMN1; SMN2
SCHEMBL18140358 0.83 POLB (0.42) POLBPSIP1PARLTSHRSMN1; SMN2
SCHEMBL18140699 0.83 POLB (0.42) POLBPSIP1PARLTSHRSMN1; SMN2
SCHEMBL10458162 0.82 STAT3 (0.54) STAT3ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0033088-B1 ANTIMYCOTIC AGENTS BAYER AG (DE) 1983-05-25 EP claimed
EP-0033088-A2 Antimycotic agents BAYER AG (DE) 1981-08-05 EP claimed
US-4386088-A Combating fungi with α-azolyl-keto derivatives BAYER AKTIENGESELLSCHAFT (DE) 1983-05-31 US disclosed
EP-0033088-B1 ANTIMYCOTIC AGENTS BAYER AG (DE) 1983-05-25 EP disclosed
US-4316932-A Combating fungi with α-azolyl-keto derivatives BAYER AKTIENGESELLSCHAFT (DE) 1982-02-23 US disclosed
EP-0007506-B1 DERIVATIVES OF ALPHA-AZOLYL KETONES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES BAYER AG (DE) 1981-11-18 EP disclosed
EP-0007505-B1 ALPHA-AZOLYL-BETA-HYDROXY-KETONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES BAYER AG (DE) 1981-09-30 EP disclosed
US-4291047-A Combating fungi with α-azolyl-β-hydroxy-ketones BAYER AKTIENGESELLSCHAFT (DE) 1981-09-22 US disclosed
EP-0033087-A2 Triazolyl-alkandiole derivatives, process for their preparation and their use as fungicides BAYER AG (DE) 1981-08-05 EP disclosed
EP-0033088-A2 Antimycotic agents BAYER AG (DE) 1981-08-05 EP disclosed
EP-0007505-A2 Alpha-azolyl-beta-hydroxy-ketones, process for their preparation and their use as fungicides BAYER AG (DE) 1980-02-06 EP disclosed
EP-0007506-A1 Derivatives of alpha-azolyl ketones, processes for their preparation and their use as fungicides BAYER AG (DE) 1980-02-06 EP disclosed