SCHEMBL11110640

SCHEMBL11110640

CCOC(=O)C(O)C1Oc2ccc([N+](=O)[O-])cc2-c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ CRHBP P24387 1/20 0.39
▸ CRHR2 Q13324 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ LNPEP Q9UIQ6 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ NPBWR1 P48145 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ MCHR1 Q99705 1/20 0.39

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
SCHEMBL11108419 0.84 CYP1A2 (0.44) MAPTKMT2ATDP1MEN1SMN1; SMN2
SCHEMBL11112729 0.83 ALDH1A1 (0.39) KMT2ATDP1MEN1CYP1A2CYP3A4
SCHEMBL11109132 0.83 ALDH1A1 (0.47) MAPTKMT2ATDP1MEN1CYP1A2
SCHEMBL11106321 0.83 ALDH1A1 (0.50) MAPTKMT2ATDP1MEN1SMN1; SMN2
SCHEMBL11106958 0.82 MAPT (0.40) MAPTKMT2ATDP1MEN1CYP1A2
SCHEMBL11113025 0.81 ALDH1A1 (0.49) MAPTKMT2ATDP1MEN1SMN1; SMN2
SCHEMBL11107922 0.81 MAPT (0.43) MAPTKMT2ATDP1MEN1SMN1; SMN2
SCHEMBL11107315 0.81 CYP1A2 (0.39) MAPTKMT2AMEN1SMN1; SMN2CYP1A2
SCHEMBL16209980 0.80 MAPT (0.44) MAPTKMT2ATDP1MEN1SMN1; SMN2
SCHEMBL11112916 0.79 MAPT (0.46) MAPTKMT2ATDP1MEN1SMN1; SMN2

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
US-4463001-A ANTIULCER AGENTS FARMITALIA CARLO ERBA S.P.A. (IT) 1984-07-31 — — US disclosed
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