SCHEMBL6546396

SCHEMBL6546396

O=C(O)C(O)CCN1C(=O)CCC1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TET2 Q6N021 3/20 0.40
KDM4A O75164 2/20 0.40
KDM4C Q9H3R0 2/20 0.40
KDM2A Q9Y2K7 2/20 0.40
TET3 O43151 1/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 3/20 0.38
HTT P42858 1/20 0.38
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
GPR84 Q9NQS5 3/20 0.35
FFAR1 O14842 1/20 0.35
PKM P14618 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
FGF2 P09038 1/20 0.35

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
SCHEMBL6546386 1.00 TET2 (0.40) TET2KDM4AKDM4CKDM2ATET3
SCHEMBL6547554 0.78 POLB (0.39) POLBALDH1A1HTTCHRM2CHRM4
SCHEMBL3938395 0.78 CYP1A2 (0.47) POLBALDH1A1HTTPKMMEN1
SCHEMBL6547560 0.78 POLB (0.39) POLBALDH1A1HTTCHRM2CHRM4
SCHEMBL7079225 0.76 ALDH1A1 (0.41) POLBALDH1A1HTTPKMMEN1
SCHEMBL2464552 0.74 POLB (0.42) POLBALDH1A1HTTPKMMEN1
SCHEMBL7408859 0.73 ALDH1A1 (0.39) POLBALDH1A1HTTPKMMEN1
SCHEMBL7350594 0.73 MEN1 (0.33) POLBALDH1A1HTTPKMMEN1
SCHEMBL6546698 0.72 MMP2 (0.36) POLBALDH1A1HTTPKMMEN1
SCHEMBL6546709 0.72 MMP2 (0.36) POLBALDH1A1HTTPKMMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6818622-B2 ADMINISTERING OVER A PERIOD OF AT LEAST THREE MONTHS A MATRIX METALLOPROTEINASE INHIBITOR FOR TREATMENT OF A PATIENT HAVING CANCER OR INFLAMMATION DARWIN DISCOVERY LTD. (GB) 2004-11-16 US disclosed
EP-0981366-B1 SELECTIVE MMP INHIBITORS HAVING REDUCED SIDE-EFFECTS DARWIN DISCOVERY LTD (GB) 2004-01-21 EP disclosed
US-20020035065-A1 Selective MMP inhibitors having reduced side-effects BIRD JOHN (GB) 2002-03-21 US disclosed