SCHEMBL17287129

SCHEMBL17287129

CN[C@@H](C)C(=O)N1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 1/20 0.41
▸ MMP2 P08253 1/20 0.41
▸ MMP8 P22894 1/20 0.41
▸ HPGD P15428 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.39
▸ HTT P42858 1/20 0.39
▸ POLB P06746 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ PDE9A O76083 1/20 0.35
▸ PDE1B Q01064 1/20 0.35
▸ PKM P14618 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL13866419 0.98 MMP1 (0.44) MMP1MMP2MMP8HPGDALDH1A1
SCHEMBL25906054 0.86 MMP1 (0.40) MMP1MMP2MMP8HPGDALDH1A1
SCHEMBL25732914 0.81 SMN1; SMN2 (0.52) HPGDALDH1A1HTTGAAMEN1
SCHEMBL27469804 0.79 CYP2C9 (0.44) ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL12460865 0.79 RAB9A (0.42) ALDH1A1POLBMEN1KMT2ASMN1; SMN2
SCHEMBL11983556 0.79 ALDH1A1 (0.61) HPGDALDH1A1POLBGAAMEN1
SCHEMBL13244080 0.79 L3MBTL1 (0.40) MMP1MMP2MMP8ALDH1A1HTT
SCHEMBL18526588 0.78 DPP4 (0.49) MMP1MMP2MMP8HPGDALDH1A1
SCHEMBL17275494 0.78 HPGD (0.41) MMP1MMP2MMP8HPGDALDH1A1
SCHEMBL4239694 0.78 HPGD (0.41) MMP1MMP2MMP8HPGDALDH1A1

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-2015179349-A2 SYNTHESIS OF BETA-ARRESTIN EFFECTORS TREVENA, INC. (US) 2015-11-26 — — WO disclosed
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