SCHEMBL9019588

SCHEMBL9019588

[CH2]C(C)C(=O)N1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.42
ALDH1A1 P00352 4/20 0.41
HTT P42858 1/20 0.41
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP8 P22894 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 1/20 0.38
DPP7 Q9UHL4 5/20 0.36
DPP4 P27487 5/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL9019530 0.98 ALDH1A1 (0.44) HPGDALDH1A1HTTMMP1MMP2
SCHEMBL9019547 0.81 PIK3CD (0.50) HPGDALDH1A1MEN1KMT2A
SCHEMBL9019591 0.79 DPP4 (0.42) HPGDALDH1A1MEN1KMT2ADPP7
SCHEMBL9019514 0.79 SMN1; SMN2 (0.50) HPGDALDH1A1HTTMMP1MMP8
SCHEMBL3218610 0.79 SMN1; SMN2 (0.50) HPGDALDH1A1HTTMMP1MMP8
SCHEMBL1106510 0.79 CHRNB2 (0.46) HPGDALDH1A1HTTMMP1MMP2
SCHEMBL27805805 0.78 MEN1 (0.46) HPGDALDH1A1HTTMEN1KMT2A
SCHEMBL25447805 0.77 ALDH1A1 (0.48) HPGDALDH1A1HTTMMP1MMP2
SCHEMBL8014381 0.77 ALDH1A1 (0.48) HPGDALDH1A1HTTMMP1MMP2
SCHEMBL21455835 0.77 ALDH1A1 (0.48) HPGDALDH1A1HTTMMP1MMP2

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
EP-0515420-B1 NITRIC ACID ESTERS OF CYCLOHEXANOL DERIVATIVES BOEHRINGER MANNHEIM GMBH (DE) 1996-06-12 EP disclosed
US-5411989-A Cardiovascular disorders BOEHRINGER MANNHEIM, GMBH (DE) 1995-05-02 US disclosed