SCHEMBL28880366

SCHEMBL28880366

COc1cc(C(=O)O)cc([N+](=O)[O-])c1NCC=CCNC(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.42
GAA P10253 1/20 0.42
TPMT P51580 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 6/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
HCAR3 P49019 3/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
TTR P02766 1/20 0.37

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
SCHEMBL22288344 0.92 ALDH1A1 (0.39) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL22288343 0.92 ALDH1A1 (0.39) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL28413730 0.91 STING1 (0.42) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL29405190 0.91 STING1 (0.42) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL19451681 0.91 STING1 (0.42) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL28453154 0.83 STING1 (0.38) MAPTGAATPMTALDH1A1MEN1
SCHEMBL28453150 0.83 STING1 (0.38) MAPTGAATPMTALDH1A1MEN1
SCHEMBL25299005 0.83 MAPT (0.47) MAPTGAATPMTNPC1RAB9A
SCHEMBL25299006 0.83 MAPT (0.47) MAPTGAATPMTNPC1RAB9A
Hydrochloric Acid SCHEMBL25298592 0.82 MAPT (0.46) MAPTGAATPMTNPC1RAB9A

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-113563313-B Immunomodulator 成都先导药物开发股份有限公司 2022-11-04 CN disclosed