SCHEMBL28166140

SCHEMBL28166140

CCCc1nc(Cl)c(C(=O)OC)cc1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 1/20 0.40
KDM4E B2RXH2 4/20 0.40
MAPT P10636 1/20 0.39
HSP90AA1 P07900 1/20 0.38
PLA2G2A P14555 5/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
GABRA4 P48169 1/20 0.38
GABRE P78334 1/20 0.38
GABRA6 Q16445 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
SCHEMBL16616389 0.93 SMN1; SMN2 (0.42) HSD17B10SMN1; SMN2MAPK1KDM4EMAPT
SCHEMBL28166124 0.88 GABRP (0.43) SMN1; SMN2KDM4EMAPTPLA2G2AGABRP
SCHEMBL4164161 0.88 HSP90AA1 (0.41) HSD17B10SMN1; SMN2MAPK1KDM4EMAPT
SCHEMBL16616317 0.88 KEAP1 (0.47) SMN1; SMN2MAPK1KDM4EHSP90AA1GABRP
SCHEMBL4164158 0.81 HSP90AA1 (0.45) HSD17B10SMN1; SMN2MAPK1KDM4EMAPT
SCHEMBL16616923 0.80 NPC1 (0.46) SMN1; SMN2KDM4EMAPTPLA2G2AGABRP
SCHEMBL11377753 0.77 CYP46A1 (0.49) HSD17B10SMN1; SMN2MAPK1GABRA1GABRG2
SCHEMBL16624279 0.76 NPC1 (0.47) SMN1; SMN2KDM4EMAPTPLA2G2ANFKB1
SCHEMBL16616378 0.76 HSP90AA1 (0.41) HSD17B10SMN1; SMN2MAPK1KDM4EMAPT
SCHEMBL4184727 0.75 GABRP (0.47) HSD17B10KDM4EGABRPGABRDGABRA1

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
CN-105612158-B The somatostatin receptor hypotype 5 (SSTR5) antagonist 武田药品工业株式会社 2017-06-30 CN disclosed