SCHEMBL9129453

SCHEMBL9129453

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

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 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
MAPT P10636 1/20 0.40
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA9 Q16790 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
FFAR1 O14842 1/20 0.38
LMNA P02545 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
GPR84 Q9NQS5 2/20 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
SCHEMBL8398806 0.94 MMP1 (0.46) ALDH1A1HPGDMMP1MMP2MMP3
SCHEMBL25615767 0.85 GGPS1 (0.42) ALDH1A1HPGDMMP1MMP2MMP3
SCHEMBL13997447 0.85 GGPS1 (0.42) ALDH1A1HPGDMMP1MMP2MMP3
SCHEMBL9129441 0.85 ALDH1A1 (0.40) ALDH1A1HPGDMMP1MMP2MMP3
SCHEMBL20149583 0.80 FFAR4 (0.62) FFAR4FFAR1GPR84
SCHEMBL31271708 0.80 FFAR4 (0.62) FFAR4FFAR1GPR84
SCHEMBL31271753 0.80 FFAR4 (0.62) FFAR4FFAR1GPR84
SCHEMBL31272125 0.80 FFAR4 (0.62) FFAR4FFAR1GPR84
SCHEMBL10727061 0.80 CA12 (0.50) ALDH1A1HPGDMMP1MMP2MMP3
SCHEMBL4139621 0.80 ALDH1A1 (0.48) 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