SCHEMBL17967319

SCHEMBL17967319

NCCc1c[nH]c2ccc(OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.55
▸ TYR P14679 2/20 0.53
▸ HTR1A P08908 7/20 0.52
▸ HTR1B P28222 7/20 0.52
▸ HTR1D P28221 6/20 0.52
▸ CYP1A2 P05177 2/20 0.52
▸ TRPM8 Q7Z2W7 2/20 0.52
▸ MAPT P10636 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ NFKB1 P19838 1/20 0.52
▸ HTR2A P28223 1/20 0.52
▸ HTR2C P28335 1/20 0.52
▸ HTR7 P34969 1/20 0.52
▸ HTR6 P50406 1/20 0.52
▸ HTR4 Q13639 1/20 0.52
▸ BLM P54132 1/20 0.51
▸ PMP22 Q01453 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ SLC5A1 P13866 5/20 0.50
▸ SLC5A2 P31639 5/20 0.50

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
SCHEMBL10400748 1.00 ATM (0.55) ATMTYRHTR1AHTR1BHTR1D
SCHEMBL29748694 0.91 ATM (0.57) ATMTYRSLC5A1SLC5A2
SCHEMBL15902334 0.87 HTR2A (0.56) ATMTYRHTR2AHTR2CSLC5A1
SCHEMBL26790014 0.87 HTR1D (0.56) ATMTYRHTR1AHTR1BHTR1D
SCHEMBL15902786 0.87 HTR2A (0.56) ATMTYRHTR2AHTR2CSLC5A1
SCHEMBL27084741 0.87 HTR1D (0.56) ATMTYRHTR1AHTR1BHTR1D
SCHEMBL26790992 0.87 HTR1D (0.56) ATMTYRHTR1AHTR1BHTR1D
SCHEMBL27084663 0.85 HTR1A (0.57) ATMTYRHTR1AHTR1BHTR1D
SCHEMBL27085209 0.85 HTR2A (0.57) ATMTYRHTR1AHTR1BHTR1D
SCHEMBL27084964 0.84 HTR1D (0.52) ATMTYRHTR1AHTR1BHTR1D

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
WO-2016124754-A1 PROCESS FOR THE FRACTIONATION OF SEEDS FROM OLEAGINOUS PLANTS. NOVAMONT S.P.A. (IT) 2016-08-11 — — WO disclosed
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