SCHEMBL8310017

SCHEMBL8310017

CCC(Cl)Oc1c(Br)ccc(C(=O)O)c1SC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.35
TSHR P16473 1/20 0.35
THRB P10828 4/20 0.34
THRA P10827 3/20 0.34
LCK P06239 1/20 0.32
FYN P06241 1/20 0.32
ALDH1A1 P00352 2/20 0.31
POLB P06746 1/20 0.31
KDM4E B2RXH2 1/20 0.30
RAB9A P51151 1/20 0.30
GABRP O00591 1/20 0.30
GABRD O14764 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30
GABRB2 P47870 1/20 0.30

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 0.86 TSHR (0.38) HSD17B10TSHRALDH1A1POLBKDM4E
SCHEMBL8310015 0.83 ALDH1A1 (0.35) HSD17B10TSHRLCKFYNALDH1A1
SCHEMBL8311738 0.79 THRB (0.36) HSD17B10TSHRTHRBTHRALCK
SCHEMBL8494455 0.77 HSD17B10 (0.47) HSD17B10TSHRLCKFYNALDH1A1
SCHEMBL8310463 0.77 HSD17B10 (0.38) HSD17B10TSHRTHRBTHRALCK
SCHEMBL8308695 0.72 TSHR (0.41) HSD17B10TSHRALDH1A1KDM4EGABRA1
SCHEMBL8391702 0.71 LCK (0.40) HSD17B10TSHRLCKFYNALDH1A1
SCHEMBL8307714 0.71 TSHR (0.38) HSD17B10TSHRALDH1A1POLBKDM4E
SCHEMBL8495888 0.70 LCK (0.37) HSD17B10TSHRLCKFYNALDH1A1
SCHEMBL8492758 0.70 LCK (0.39) HSD17B10TSHRLCKFYNALDH1A1

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