SCHEMBL27650591

SCHEMBL27650591

C=C(C)C(=O)N1CCCCCCCCC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
HPGD P15428 3/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP9 P14780 1/20 0.39
CA2 P00918 1/20 0.38
CHKA P35790 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 2/20 0.37
GAA P10253 2/20 0.37
ATM Q13315 1/20 0.36
POLB P06746 1/20 0.34
HTT P42858 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
SCHEMBL152231 1.00 ALDH1A1 (0.46) ALDH1A1HPGDMMP1MMP2MMP3
SCHEMBL2550524 1.00 ALDH1A1 (0.46) ALDH1A1HPGDMMP1MMP2MMP3
SCHEMBL2558930 1.00 ALDH1A1 (0.46) ALDH1A1HPGDMMP1MMP2MMP3
SCHEMBL191289 1.00 ALDH1A1 (0.46) ALDH1A1HPGDMMP1MMP2MMP3
SCHEMBL109476 0.97 ALDH1A1 (0.42) ALDH1A1HPGDMMP1MMP2MMP3
SCHEMBL5131814 0.92
SCHEMBL269621 0.87 TDP1 (0.42) ALDH1A1MEN1KMT2ATDP1SMN1; SMN2
SCHEMBL236549 0.87
SCHEMBL10664176 0.86 ALDH1A1 (0.40) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL10661680 0.83 ALDH1A1 (0.37) ALDH1A1MEN1KMT2A

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
CN-100521996-C Safety helmet and process for producing a safety helmet QINETIQ LTD (GB) 2009-08-05 CN disclosed
CN-1812731-A Safety helmets QINETIQ LTD (GB) 2006-08-02 CN disclosed