SCHEMBL7768833

SCHEMBL7768833

C=C(C)C(=O)OCCc1ccc(N=C=S)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 1/20 0.51
THRB P10828 1/20 0.41
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HSD17B10 Q99714 1/20 0.38
TSHR P16473 2/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
ALOX12 P18054 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TYR P14679 1/20 0.34

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
SCHEMBL7765371 0.86 P2RY6 (0.46) P2RY6POLBAPEX1HTTTDP1
SCHEMBL7770358 0.85 TDP1 (0.45) P2RY6THRBPOLBAPEX1HTT
SCHEMBL11921516 0.83 THRB (0.55) THRBPOLBAPEX1HTTTDP1
SCHEMBL22566492 0.82 THRB (0.53) THRBPOLBAPEX1HTTTDP1
SCHEMBL27783293 0.80 TSHR (0.42) P2RY6THRBPOLBAPEX1HTT
SCHEMBL14603427 0.79 PPARA (0.50) THRBPOLBAPEX1HTTTDP1
SCHEMBL14028817 0.79 THRB (0.41) THRBPOLBAPEX1HTTTDP1
SCHEMBL10457799 0.79 THRB (0.50) THRBPOLBAPEX1HTTTDP1
Hydrochloric Acid SCHEMBL21333307 0.78 P2RY6 (0.49) P2RY6HSD17B10TP53CYP1A2CYP3A4
SCHEMBL148322 0.78 SMN1; SMN2 (0.56) THRBPOLBAPEX1HTTTDP1

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
WO-2001059455-A2 IMMOBILIZATION OF BIOACTIVE SPECIES ACSPURT B.V. (NL) 2001-08-16 WO claimed
WO-2001059455-A2 IMMOBILIZATION OF BIOACTIVE SPECIES ACSPURT B.V. (NL) 2001-08-16 WO disclosed