SCHEMBL6993318

SCHEMBL6993318

O=C(O)C1CC2CCC(CSc3ccc(Oc4ccc(Cl)cc4)cc3)(C1)O2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 1/20 0.41
FFAR1 O14842 1/20 0.36
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
KDM4E B2RXH2 3/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MMP1 P03956 3/20 0.34
MMP13 P45452 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
LTA4H P09960 2/20 0.34
MAPT P10636 1/20 0.34
ABCB11 O95342 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP7 P09237 1/20 0.33
MMP10 P09238 1/20 0.33

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
SCHEMBL6995857 0.73 MMP1 (0.46) S1PR5FFAR1ALDH1A1SMN1; SMN2GAA
SCHEMBL2409029 0.71 MMP1 (0.50) ALDH1A1SMN1; SMN2GAAKDM4EMMP1
SCHEMBL8425464 0.70 S1PR5 (0.44) S1PR5FFAR1ALDH1A1PTGDR2HPGD
SCHEMBL7001941 0.68 MMP1 (0.56) ALDH1A1KDM4EHPGDHTTNPSR1
SCHEMBL6998853 0.68 MMP1 (0.56) ALDH1A1KDM4EHPGDHTTNPSR1
SCHEMBL7308927 0.66 MMP1 (0.50) ALDH1A1SMN1; SMN2GAAKDM4EMMP1
SCHEMBL7304591 0.66 MMP1 (0.64) MMP1MMP13ABCB11MMP2MMP3
SCHEMBL8425539 0.65 FKBP1A (0.42) S1PR5ALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL7302178 0.65 MMP1 (0.46) ALDH1A1SMN1; SMN2MMP1MMP13MAPT
SCHEMBL11540586 0.64 ALDH1A1 (0.83) FFAR1ALDH1A1SMN1; SMN2GAAHPGD

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
EP-1070069-B1 BICYCLIC HYDROXAMIC ACID DERIVATIVES PFIZER PROD INC (US) 2003-07-16 EP disclosed