SCHEMBL8969436

SCHEMBL8969436

B.CCOCC(C(=O)O)c1ccc(OCC2(O)CN3CCC2CC3)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 7/20 0.38
FDFT1 P37268 1/20 0.36
MMP2 P08253 2/20 0.35
MAPT P10636 1/20 0.35
POLB P06746 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 1/20 0.34
FFAR1 O14842 1/20 0.34
GAA P10253 2/20 0.34
KDM4E B2RXH2 1/20 0.33
HTT P42858 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
SCHEMBL8772617 0.74 ALDH1A1 (0.46) MMP13L3MBTL1LMNA
SCHEMBL8968633 0.72 CHRM2 (0.39) MMP13FDFT1MMP2
SCHEMBL8707627 0.71 HRH3 (0.42) LMNA
SCHEMBL9187873 0.71 FDFT1 (0.43) MMP13FDFT1MMP2MAPTLMNA
SCHEMBL8592551 0.71 FDFT1 (0.43) MMP13FDFT1MMP2MAPTLMNA
SCHEMBL8968689 0.70 CHRM2 (0.39) MMP13FDFT1MMP2
SCHEMBL8706049 0.69 MMP13 (0.36) MMP13
SCHEMBL8969019 0.68 LTA4H (0.42) MMP13FDFT1MMP2LMNA
Hydrochloric Acid SCHEMBL8418615 0.66 FDFT1 (0.37) MMP13FDFT1MMP2
SCHEMBL21049648 0.66 CYP2C19 (0.49) POLBLMNAGAAKDM4E

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-0696284-A1 HETEROCYCLIC DERIVATIVES ZENECA LIMITED (GB) 1996-02-14 EP disclosed
WO-1994025459-A1 HETEROCYCLIC DERIVATIVES ZENECA LIMITED (GB) 1994-11-10 WO disclosed