SCHEMBL9562207

SCHEMBL9562207

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

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 2/20 0.51
TSHR P16473 3/20 0.49
TP53 P04637 1/20 0.49
CYP3A4 P08684 1/20 0.49
MAPK1 P28482 1/20 0.49
ALDH1A1 P00352 2/20 0.48
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL9790734 0.96 TSHR (0.47) NPC1RAB9ASMN1; SMN2LMNATSHR
SCHEMBL1371273 0.83 MMP8 (0.50) NPC1SMN1; SMN2LMNATSHRCYP3A4
SCHEMBL29024336 0.82 NPC1 (0.56) NPC1RAB9ASMN1; SMN2LMNATSHR
SCHEMBL28277988 0.80 NPC1 (0.51) NPC1RAB9ASMN1; SMN2LMNATSHR
SCHEMBL11361667 0.79 HCAR2 (0.45) NPC1RAB9ASMN1; SMN2LMNATSHR
SCHEMBL18915623 0.79 ALDH1A1 (0.54) NPC1RAB9ASMN1; SMN2LMNATSHR
SCHEMBL28368000 0.79 TSHR (0.51) NPC1RAB9ASMN1; SMN2LMNATSHR
SCHEMBL805586 0.79 KDM4E (0.58) NPC1RAB9ASMN1; SMN2LMNATSHR
SCHEMBL5892157 0.79 TSHR (0.51) NPC1RAB9ASMN1; SMN2LMNATSHR
SCHEMBL28555860 0.79 NPC1 (0.50) NPC1RAB9ASMN1; SMN2LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5155847-A None JP claimed
JP-5155847-A None JP disclosed