SCHEMBL13039150

SCHEMBL13039150

BN1CC[C@H](N[C@@H](C)c2ccccc2)[C@H](C(=O)OCC)C1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ HPGD P15428 2/20 0.47
▸ TSHR P16473 2/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ KDM4E B2RXH2 4/20 0.47
▸ CACNA1A O00555 1/20 0.42
▸ CACNA2D1 P54289 1/20 0.42
▸ CACNB1 Q02641 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ GAA P10253 1/20 0.40
▸ NPY2R P49146 1/20 0.40
▸ ALOX5 P09917 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ HSD17B10 Q99714 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
SCHEMBL28833794 0.88 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2HPGDTSHRNPC1
SCHEMBL26621555 0.88 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2HPGDTSHRNPC1
SCHEMBL26621558 0.88 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2HPGDTSHRNPC1
SCHEMBL28833793 0.88 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2HPGDTSHRNPC1
SCHEMBL12972608 0.84 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2HPGDTSHRNPC1
SCHEMBL21104774 0.84 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2HPGDTSHRNPC1
SCHEMBL14341281 0.84 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2HPGDTSHRNPC1
SCHEMBL12565042 0.84 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2HPGDTSHRNPC1
SCHEMBL14341272 0.84 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2HPGDTSHRNPC1
SCHEMBL12565030 0.84 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2HPGDTSHRNPC1

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-7858737-B2 Heterogeneous foldamers containing α, β, and/or γ-amino acids WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-12-28 — — US disclosed
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