SCHEMBL28320461

SCHEMBL28320461

O=C(O)N1CCCC1=O.[Zn].[Zn]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.59
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
RECQL P46063 1/20 0.43
BLM P54132 1/20 0.43
ALDH1A1 P00352 2/20 0.41
BRD4 O60885 1/20 0.41
BRD2 P25440 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.38
MITF O75030 1/20 0.38
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL239942 1.00 LMNA (0.59) LMNAKMT2ACYP1A2CYP2D6CYP2C9
Water SCHEMBL6288346 0.98 LMNA (0.57) LMNAKMT2ACYP1A2CYP2D6CYP2C9
SCHEMBL28172900 0.98 LMNA (0.57) LMNAKMT2ACYP1A2CYP2D6CYP2C9
Water SCHEMBL6344864 0.98 LMNA (0.57) LMNAKMT2ACYP1A2CYP2D6CYP2C9
SCHEMBL59155 0.98
SCHEMBL10871994 0.95 LMNA (0.59) LMNAKMT2ACYP1A2CYP2D6CYP2C9
SCHEMBL1857819 0.95 LMNA (0.59) LMNAKMT2ACYP1A2CYP2D6CYP2C9
SCHEMBL2297517 0.95 LMNA (0.59) LMNAKMT2ACYP1A2CYP2D6CYP2C9
SCHEMBL839318 0.95 LMNA (0.59) LMNAKMT2ACYP1A2CYP2D6CYP2C9
SCHEMBL3620504 0.95 LMNA (0.59) LMNAKMT2ACYP1A2CYP2D6CYP2C9

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
CN-106572952-B Hair composition 太阳星光齿磨公司 2019-09-10 CN disclosed