SCHEMBL8307714

SCHEMBL8307714

CCOC(=O)c1ccc(Br)c(OC(C)CCl)c1SC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.38
ALDH1A1 P00352 6/20 0.37
NPSR1 Q6W5P4 3/20 0.37
LMNA P02545 1/20 0.37
KDM4E B2RXH2 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA12 O43570 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
CA14 Q9ULX7 2/20 0.36
MAPT P10636 5/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
USP2 O75604 1/20 0.36
ALOX15 P16050 1/20 0.36
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
TDP1 Q9NUW8 4/20 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
SCHEMBL8307721 0.85 TSHR (0.38) TSHRALDH1A1NPSR1LMNAKDM4E
SCHEMBL8308693 0.85 TSHR (0.41) TSHRALDH1A1NPSR1LMNAKDM4E
SCHEMBL8310015 0.85 ALDH1A1 (0.35) TSHRALDH1A1HSD17B10
SCHEMBL8307840 0.82 MAPT (0.41) TSHRALDH1A1NPSR1LMNAKDM4E
SCHEMBL8489108 0.82 MEN1 (0.48) TSHRALDH1A1NPSR1LMNAKDM4E
SCHEMBL8489353 0.78 ALDH1A1 (0.45) TSHRALDH1A1NPSR1LMNAKDM4E
SCHEMBL8312392 0.76
SCHEMBL8309793 0.74
SCHEMBL8310017 0.71 HSD17B10 (0.35) TSHRALDH1A1KDM4EPOLBHSD17B10
SCHEMBL8309085 0.70 CYP4F2 (0.42) TSHRALDH1A1NPSR1LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0918056-A1 Herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 1999-05-26 EP disclosed