SCHEMBL8583191

SCHEMBL8583191

COC(=O)c1ccc(C2CCCC2C)c(S(C)(=O)=O)c1Br

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.36
ALDH1A1 P00352 6/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HSD17B10 Q99714 4/20 0.34
NPSR1 Q6W5P4 2/20 0.34
HPGD P15428 2/20 0.34
KMT2A Q03164 3/20 0.33
OPRK1 P41145 3/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
HTR5A P47898 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA5A P35218 1/20 0.33
CA9 Q16790 1/20 0.33
YAP1 P46937 1/20 0.32
TSHR P16473 3/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL8583100 0.87 FFAR4 (0.38) KDM4EALDH1A1SMN1; SMN2HSD17B10NPSR1
SCHEMBL8583345 0.86 ALDH1A1 (0.36) KDM4EALDH1A1SMN1; SMN2HSD17B10NPSR1
SCHEMBL8578771 0.86 TAS1R3 (0.37) KDM4EALDH1A1SMN1; SMN2HSD17B10NPSR1
SCHEMBL8582996 0.84 KDM4E (0.37) KDM4EALDH1A1SMN1; SMN2HSD17B10NPSR1
SCHEMBL8581355 0.83 ALDH1A1 (0.36) KDM4EALDH1A1SMN1; SMN2KMT2AOPRK1
SCHEMBL8583129 0.83 YAP1 (0.37) KDM4EALDH1A1SMN1; SMN2HSD17B10NPSR1
SCHEMBL27350098 0.82 SLC9A1 (0.30)
SCHEMBL8583575 0.82 PDK2 (0.39) KDM4EALDH1A1SMN1; SMN2HSD17B10NPSR1
SCHEMBL8578782 0.82 DRD2 (0.38) KDM4EALDH1A1SMN1; SMN2HSD17B10NPSR1
SCHEMBL8578768 0.81 YAP1 (0.39) KDM4EALDH1A1SMN1; SMN2HSD17B10NPSR1

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-5844103-A Anionic glycasuccinamide sufactants and a process for their manufacture LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1998-12-01 US disclosed
US-5840761-A Alkylbenzoylguanidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-11-24 US disclosed
US-5631389-A SUCCINAMIDES WITH SUGAR GROUPS, POLLUTION CONTROL, BIODEGRADABLE LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1997-05-20 US disclosed
US-5541341-A CARBOHYDRATE BASED SURFACTANTS LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1996-07-30 US disclosed