SCHEMBL7417669

SCHEMBL7417669

CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCCCC([AsH]S(=O)(=O)c1ccc(-c2ccc(Br)cc2)cc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.45
TDP1 Q9NUW8 1/20 0.45
LMNA P02545 1/20 0.42
PPARA Q07869 7/20 0.42
PTGS2 P35354 1/20 0.41
ADAMTS5 Q9UNA0 1/20 0.40
MMP2 P08253 4/20 0.40
MMP9 P14780 4/20 0.40
MMP1 P03956 2/20 0.39
MMP3 P08254 2/20 0.39
MMP7 P09237 2/20 0.39
MMP13 P45452 2/20 0.39
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
OPRL1 P41146 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 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
SCHEMBL6413229 0.84 MMP2 (0.57) PPARAADAMTS5MMP2MMP9MMP1
SCHEMBL8343759 0.70 MMP2 (0.40) PPARAMMP2MMP9MMP1MMP3
SCHEMBL3170559 0.69 LMNA (0.57) POLBTDP1LMNAPPARAPTGS2
SCHEMBL3174577 0.69 LMNA (0.57) POLBTDP1LMNAPPARAPTGS2
SCHEMBL11880489 0.69 PPARA (0.60) POLBTDP1LMNAPPARAPTGS2
SCHEMBL17511722 0.69 LMNA (0.60) POLBTDP1LMNAPPARAPTGS2
SCHEMBL23903527 0.68 LMNA (0.61) POLBTDP1LMNAPPARAPTGS2
SCHEMBL23902982 0.68 ALDH1A1 (0.55) POLBTDP1LMNAPPARAPTGS2
SCHEMBL1584133 0.68 PPARA (0.59) POLBTDP1LMNAPPARAPTGS2
SCHEMBL13527399 0.67 LMNA (0.57) POLBTDP1LMNAPPARAPTGS2

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-0946166-A1 USE OF MATRIX METALLOPROTEINASE INHIBITORS FOR TREATING NEUROLOGICAL DISORDERS AND PROMOTING WOUND HEALING WARNER-LAMBERT COMPANY (US) 1999-10-06 EP disclosed
WO-1998026773-A1 USE OF MATRIX METALLOPROTEINASE INHIBITORS FOR TREATING NEUROLOGICAL DISORDERS AND PROMOTING WOUND HEALING WARNER-LAMBERT COMPANY (US) 1998-06-25 WO disclosed