SCHEMBL9129441

SCHEMBL9129441

CCCCCN(CCCCC)C(=O)CCC(C)[O]

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP8 P22894 1/20 0.40
CA1 P00915 5/20 0.38
CA12 O43570 3/20 0.38
CA9 Q16790 3/20 0.38
LMNA P02545 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
CA2 P00918 1/20 0.37
EPHX2 P34913 1/20 0.37
TP53 P04637 1/20 0.36
LCK P06239 1/20 0.36
PPARD Q03181 1/20 0.36
ZDHHC20 Q5W0Z9 1/20 0.36
ZDHHC2 Q9UIJ5 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
SCHEMBL13997447 0.85 GGPS1 (0.42) ALDH1A1HPGDMMP1MMP2MMP3
SCHEMBL25615767 0.85 GGPS1 (0.42) ALDH1A1HPGDMMP1MMP2MMP3
SCHEMBL9129453 0.85 ALDH1A1 (0.40) ALDH1A1HPGDMMP1MMP2MMP3
SCHEMBL4139621 0.80 ALDH1A1 (0.48) ALDH1A1HPGDMMP1MMP2MMP3
SCHEMBL20515076 0.80 ALDH1A1 (0.56) ALDH1A1HPGDMMP1MMP2MMP3
SCHEMBL10727436 0.80 CA12 (0.50) ALDH1A1HPGDMMP1MMP2MMP3
SCHEMBL10727061 0.80 CA12 (0.50) ALDH1A1HPGDMMP1MMP2MMP3
SCHEMBL8015904 0.80 CA12 (0.50) ALDH1A1HPGDMMP1MMP2MMP3
SCHEMBL6708723 0.80 CA12 (0.50) ALDH1A1HPGDMMP1MMP2MMP3
SCHEMBL8398806 0.79 MMP1 (0.46) ALDH1A1HPGDMMP1MMP2MMP3

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
US-5387596-A Treating arteriosclerosis SANKYO COMPANY, LIMITED (JP) 1995-02-07 US disclosed