SCHEMBL28283100

SCHEMBL28283100

NOC(=O)[C@H](Cc1ccccc1)N(O)O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SRR Q9GZT4 4/20 0.50
SLC1A3 P43003 2/20 0.46
SLC1A2 P43004 2/20 0.46
SLC1A1 P43005 2/20 0.46
ALPI P09923 1/20 0.46
PKM P14618 1/20 0.46
PTGS1 P23219 1/20 0.46
XIAP P98170 1/20 0.46
SLC7A5 Q01650 1/20 0.46
CYP1A2 P05177 1/20 0.44
EPHX1 P07099 1/20 0.42
PSAT1 Q9Y617 2/20 0.41
CPA3 P15088 1/20 0.41
CTRB1 P17538 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
MDM2 Q00987 1/20 0.41
SLC15A1 P46059 1/20 0.40
CHRM1 P11229 1/20 0.40

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
SCHEMBL27987428 0.83 CYP1A2 (0.44) SRRSLC1A3SLC1A2SLC1A1ALPI
SCHEMBL5151597 0.83 ATM (0.50) CTRB1ALDH1A1MAPT
SCHEMBL28878522 0.83 ATM (0.50) CTRB1ALDH1A1MAPT
SCHEMBL29112710 0.83 CYP1A2 (0.44) SRRSLC1A3SLC1A2SLC1A1ALPI
SCHEMBL27420280 0.81 PPARG (0.43) SRRSLC1A3SLC1A2SLC1A1ALPI
Hydrochloric Acid SCHEMBL28015581 0.81 ATM (0.49) CTRB1ALDH1A1MAPT
SCHEMBL28239477 0.81 CYP1A2 (0.43) SRRSLC1A3SLC1A2SLC1A1ALPI
SCHEMBL29127421 0.81 CYP1A2 (0.43) SRRSLC1A3SLC1A2SLC1A1ALPI
Hydrochloric Acid SCHEMBL28015582 0.81 ATM (0.49) CTRB1ALDH1A1MAPT
SCHEMBL27566888 0.81 MMP2 (0.47) SRRSLC1A3SLC1A2SLC1A1ALPI

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-109453148-A A kind of curcumin eutectic composition and preparation method thereof 湖南湘源美东医药科技有限公司 2019-03-12 CN disclosed