SCHEMBL31366955

SCHEMBL31366955

Nc1ccccc1-c1ccc2c(c1)OCO2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.55
ADORA1 P30542 4/20 0.53
ADORA2A P29274 3/20 0.53
ADORA3 P0DMS8 1/20 0.53
MAPT P10636 6/20 0.49
NPC1 O15118 5/20 0.49
RAB9A P51151 5/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
ALDH1A1 P00352 4/20 0.49
NFKB1 P19838 3/20 0.49
NFKB2 Q00653 3/20 0.49
RELA Q04206 3/20 0.49
KDM4E B2RXH2 2/20 0.49
HSD17B10 Q99714 2/20 0.49
ALOX15 P16050 1/20 0.49
HTT P42858 1/20 0.49
PTGS2 P35354 2/20 0.49
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
L3MBTL1 Q9Y468 3/20 0.47

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
SCHEMBL395611 1.00 PTPRC (0.55) PTPRCADORA1ADORA2AADORA3MAPT
SCHEMBL657415 0.89 CD274 (0.54) PTPRCMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL18438010 0.86 PTPRC (0.49) PTPRCADORA1ADORA2AADORA3MAPT
SCHEMBL21356653 0.81 PTPRC (0.51) PTPRCADORA1ADORA2AADORA3MAPT
SCHEMBL6011371 0.81 MAPT (0.48) PTPRCADORA1ADORA2AADORA3MAPT
Hydrochloric Acid SCHEMBL6011738 0.79 MAPT (0.47) PTPRCADORA1ADORA2AADORA3MAPT
SCHEMBL3597253 0.79 PTPRC (0.55) PTPRCADORA1ADORA2AADORA3MAPT
SCHEMBL5282347 0.79 PTPRC (0.55) PTPRCMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL27466656 0.79 BCL2L1 (0.59) PTPRCADORA1ADORA2AADORA3MAPT
SCHEMBL29408380 0.77 MAP4K4 (0.53) PTPRCADORA1ADORA2AADORA3MAPT

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
CN-119285645-A Method for constructing crinis Carbonisatus alkali by using natural light induced carbonylation reaction 桂林理工大学 2025-01-10 CN claimed
CN-119285645-A Method for constructing crinis Carbonisatus alkali by using natural light induced carbonylation reaction 桂林理工大学 2025-01-10 CN disclosed