SCHEMBL8867461

SCHEMBL8867461

Cc1nc(-c2ccc(OCC(C)C)c(F)c2)sc1C(=O)O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 7/20 0.72
TARBP2 Q15633 2/20 0.72
ABCC4 O15439 1/20 0.72
ABCB11 O95342 1/20 0.72
PGR P06401 1/20 0.72
CHRM1 P11229 1/20 0.72
PDE4A P27815 1/20 0.72
BLVRB P30043 1/20 0.72
HDAC6 Q9UBN7 1/20 0.72
ABCG2 Q9UNQ0 1/20 0.72
RAB9A P51151 3/20 0.51
KDM4E B2RXH2 2/20 0.51
GAA P10253 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 1/20 0.49
POLB P06746 1/20 0.49
PPID Q08752 1/20 0.49
ALDH1A1 P00352 1/20 0.48
FFAR1 O14842 3/20 0.46
PPARD Q03181 3/20 0.46

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
SCHEMBL21156694 0.89 XDH (0.75) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL8867176 0.88 XDH (0.57) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL470772 0.88 XDH (0.74) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL31066924 0.88 XDH (0.74) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL2635918 0.88 XDH (0.74) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL878644 0.87 XDH (0.72) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL8867933 0.87 XDH (0.72) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL8867538 0.87 XDH (0.72) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL12133608 0.87 XDH (0.72) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL19523325 0.86 XDH (0.68) XDHTARBP2ABCC4ABCB11PGR

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-5614520-A 2-arylthiazole derivatives and pharmaceutical composition thereof TEIJIN LIMITED (JP) 1997-03-25 US disclosed
EP-0513379-B1 2-ARYLTHIAZOLE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME TEIJIN LTD (JP) 1996-09-11 EP disclosed
EP-0513379-A1 2-ARYLTHIAZOLE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME TEIJIN LIMITED (JP) 1992-11-19 EP disclosed