SCHEMBL22804010

SCHEMBL22804010

CCCCOc1cc2c(c(Cl)c1Cl)C(=O)C(C1CCCC1)C2

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 11/20 0.52
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
HSD17B10 Q99714 3/20 0.47
TSHR P16473 2/20 0.47
ALOX15 P16050 1/20 0.47
RECQL P46063 1/20 0.47
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
LMNA P02545 2/20 0.44
BLM P54132 2/20 0.44
NFKB1 P19838 1/20 0.44
MAPK1 P28482 1/20 0.44
GMNN O75496 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HIF1A Q16665 1/20 0.39
ADRB3 P13945 1/20 0.39
GPR183 P32249 1/20 0.39

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
SCHEMBL11048226 0.85 MEN1 (0.54) GRM2MEN1KMT2AHSD17B10TSHR
SCHEMBL11027295 0.82 GRM2 (0.50) GRM2MEN1KMT2AHSD17B10TSHR
SCHEMBL11112986 0.81 HSD17B10 (0.56) GRM2MEN1KMT2AHSD17B10TSHR
SCHEMBL11601732 0.80 HSD17B10 (0.55) GRM2MEN1KMT2AHSD17B10TSHR
SCHEMBL11654170 0.74 GRM2 (0.44) GRM2LMNAADRB3GPR183
SCHEMBL4946805 0.74 GRM2 (0.64) GRM2ADRB3GPR183
SCHEMBL4945422 0.72 GRM2 (0.43) GRM2ADRB3GPR183
SCHEMBL11659608 0.71 GRM2 (0.41) GRM2ADRB3GPR183
SCHEMBL11707480 0.70 ALDH1A1 (0.47) GRM2MEN1KMT2AHSD17B10TSHR
SCHEMBL11707753 0.70 GRM2 (0.43) GRM2MEN1KMT2AHSD17B10TSHR

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
WO-2020252041-A1 SWELL1-LRRC8 COMPLEX MODULATORS WASHINGTON UNIVERSITY (US) 2020-12-17 WO disclosed