SCHEMBL8582273

SCHEMBL8582273

COC(=O)c1ccc(C2CCCCC2)c(S(C)(=O)=O)c1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 1/20 0.39
KDM4E B2RXH2 6/20 0.38
ALDH1A1 P00352 6/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
ALOX12 P18054 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
HPGD P15428 1/20 0.36
PTGS2 P35354 1/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.35
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.35
RIPK1 Q13546 1/20 0.35
TSHR P16473 2/20 0.34
PTGDR Q13258 1/20 0.34
MAPT P10636 1/20 0.34
PDK2 Q15119 1/20 0.34

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
SCHEMBL8581857 0.99 YAP1 (0.37) YAP1KDM4EALDH1A1SMN1; SMN2POLB
SCHEMBL8582528 0.93 PDK2 (0.39) YAP1KDM4EALDH1A1SMN1; SMN2POLB
SCHEMBL8582985 0.89 ALDH1A1 (0.38) KDM4EALDH1A1SMN1; SMN2KMT2AHSD17B10
SCHEMBL8579027 0.86 YAP1 (0.39) YAP1KDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL8580134 0.85 YAP1 (0.39) YAP1KDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL8578768 0.85 YAP1 (0.39) YAP1KDM4EALDH1A1SMN1; SMN2POLB
SCHEMBL8580491 0.84 CMA1 (0.40) YAP1KDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL8583129 0.83 YAP1 (0.37) YAP1KDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL8581200 0.83 ALOX5AP (0.37) YAP1KDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL8582994 0.82 KDM4E (0.39) YAP1KDM4EALDH1A1SMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5840761-A Alkylbenzoylguanidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-11-24 US disclosed