SCHEMBL8701191

SCHEMBL8701191

O=C(CCOCc1ccccc1)NCc1ccc(-c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
LMNA P02545 2/20 0.61
TSHR P16473 2/20 0.58
RECQL P46063 1/20 0.58
GAA P10253 1/20 0.55
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
TRPV1 Q8NER1 2/20 0.52
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ADAMTS5 Q9UNA0 2/20 0.51
HTT P42858 1/20 0.50
MMP2 P08253 2/20 0.49
MMP9 P14780 2/20 0.49
MMP8 P22894 1/20 0.49
MMP12 P39900 1/20 0.49
MMP14 P50281 1/20 0.49

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
SCHEMBL17117263 0.84 GAA (0.70) ALDH1A1LMNATSHRRECQLGAA
SCHEMBL8696072 0.81 ALDH1A1 (0.47) ALDH1A1LMNATSHRRECQLGAA
SCHEMBL8792470 0.80 ALDH1A1 (0.71) ALDH1A1LMNAGAAMEN1KMT2A
SCHEMBL8696994 0.80 ALDH1A1 (0.46) ALDH1A1LMNATSHRRECQLGAA
SCHEMBL10031020 0.79 MEN1 (0.80) ALDH1A1LMNAGAAMEN1KMT2A
SCHEMBL9813414 0.78 SMN1; SMN2 (0.51) LMNATSHRRECQLGAAMEN1
SCHEMBL26581051 0.78 TSHR (0.63) ALDH1A1LMNATSHRRECQLGAA
SCHEMBL26581062 0.78 TSHR (0.63) ALDH1A1LMNATSHRRECQLGAA
SCHEMBL17117282 0.78 TAAR1 (0.62) ALDH1A1LMNAMEN1KMT2AL3MBTL1
SCHEMBL8699067 0.78 TRPV1 (0.78) ALDH1A1LMNAGAAMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5726319-A Biphenyl substituted dipeptide analogs promote release of growth hormone MERCK & CO., INC. (US) 1998-03-10 US claimed
US-5726319-A Biphenyl substituted dipeptide analogs promote release of growth hormone MERCK & CO., INC. (US) 1998-03-10 US disclosed