SCHEMBL10843086

SCHEMBL10843086

O=Cc1cc(OCCCCCCCCl)ccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.46
▸ ALDH1A1 P00352 7/20 0.43
▸ LMNA P02545 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ PRKDC P78527 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ HPGD P15428 2/20 0.40
▸ TLR4 O00206 1/20 0.39
▸ TLR2 O60603 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ SIRT5 Q9NXA8 1/20 0.39
▸ BACE1 P56817 1/20 0.38

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
SCHEMBL10844431 1.00 MAPT (0.46) MAPTALDH1A1LMNAKDM4ECYP3A4
SCHEMBL10842188 1.00 MAPT (0.46) MAPTALDH1A1LMNAKDM4ECYP3A4
SCHEMBL10842144 1.00 MAPT (0.46) MAPTALDH1A1LMNAKDM4ECYP3A4
SCHEMBL10849738 0.99 MAPT (0.47) MAPTALDH1A1LMNAKDM4ECYP3A4
SCHEMBL8702336 0.94 MAPT (0.47) MAPTALDH1A1LMNAKDM4ECYP3A4
SCHEMBL10848726 0.92 MAPT (0.47) MAPTALDH1A1LMNAKDM4ECYP3A4
SCHEMBL2443194 0.88 MAPT (0.53) MAPTALDH1A1LMNAKDM4ECYP3A4
SCHEMBL7317041 0.86 MAPT (0.42) MAPTALDH1A1KDM4ESIRT5BACE1
SCHEMBL7321233 0.86 MAPT (0.42) MAPTALDH1A1KDM4ESIRT5BACE1
SCHEMBL13900803 0.86 MAPT (0.57) MAPTALDH1A1LMNAKDM4ECYP3A4

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-4593029-A Enzyme inhibitor SYNTEX (U.S.A.) INC. (US) 1986-06-03 — — US disclosed
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