SCHEMBL6884103

SCHEMBL6884103

O=C(O)CC(C(=O)O)N1C(=O)/C(=C/c2ccc(OCc3ccccc3)cc2OCc2ccccc2)SC1=S

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 3/20 0.60
PTPN1 P18031 6/20 0.56
BCL2 P10415 4/20 0.55
BCL2L2 Q92843 4/20 0.55
BAD Q92934 4/20 0.55
MAPT P10636 4/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
ALDH1A1 P00352 2/20 0.53
CRHBP P24387 1/20 0.53
CRHR2 Q13324 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
POLB P06746 2/20 0.52
CTSL P07711 1/20 0.52
HPGD P15428 1/20 0.52
MMP3 P08254 2/20 0.51
AKR1B1 P15121 2/20 0.51
MMP13 P45452 2/20 0.51
GFER P55789 1/20 0.51

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
SCHEMBL6884106 1.00 ADAMTS5 (0.60) ADAMTS5PTPN1BCL2BCL2L2BAD
SCHEMBL7145081 0.88 ADAMTS5 (0.61) ADAMTS5PTPN1BCL2BCL2L2BAD
SCHEMBL7148343 0.87 ADAMTS5 (0.71) ADAMTS5PTPN1MAPTMEN1KMT2A
SCHEMBL7165592 0.87 MAPT (0.66) ADAMTS5PTPN1BCL2BCL2L2BAD
SCHEMBL7149413 0.85 ADAMTS5 (0.62) ADAMTS5PTPN1BCL2BCL2L2BAD
SCHEMBL7147356 0.83 PTPN1 (0.73) ADAMTS5PTPN1MEN1KMT2APOLB
SCHEMBL7140621 0.82 MAPT (0.68) ADAMTS5PTPN1MAPTMEN1KMT2A
SCHEMBL7401104 0.81 KMT2A (0.73) ADAMTS5PTPN1MEN1KMT2APOLB
SCHEMBL7149430 0.81 PTPN1 (0.54) ADAMTS5PTPN1MAPTMEN1KMT2A
SCHEMBL7149409 0.81 ADAMTS5 (0.68) ADAMTS5PTPN1BCL2BCL2L2BAD

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-6673816-B1 Rhodanine carboxylic acid derivatives for the treatment and prevention of metabolic bone disorders Esswein, Angelika (DE) 2004-01-06 US disclosed
EP-1117655-A1 RHODANINE CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT AND PREVENTION OF METABOLIC BONE DISORDERS Esswein, Angelika (DE) 2001-07-25 EP disclosed
WO-2000018747-A1 RHODANINE CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT AND PREVENTION OF METABOLIC BONE DISORDERS ROCHE DIAGNOSTICS GMBH (DE) 2000-04-06 WO disclosed