SCHEMBL8310463

SCHEMBL8310463

CSc1c(C(=O)O)ccc(Br)c1OCCCl

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.38
TSHR P16473 1/20 0.38
THRB P10828 7/20 0.35
THRA P10827 6/20 0.35
LCK P06239 1/20 0.34
FYN P06241 1/20 0.34
ALDH1A1 P00352 1/20 0.32
KDM4E B2RXH2 2/20 0.31
MCL1 Q07820 1/20 0.30
ERN1 O75460 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
SCHEMBL8307840 0.84 MAPT (0.41) HSD17B10TSHRALDH1A1KDM4E
SCHEMBL8311738 0.82 THRB (0.36) HSD17B10TSHRTHRBTHRALCK
SCHEMBL8310015 0.81 ALDH1A1 (0.35) HSD17B10TSHRLCKFYNALDH1A1
SCHEMBL8494455 0.80 HSD17B10 (0.47) HSD17B10TSHRLCKFYNALDH1A1
SCHEMBL8308298 0.80
SCHEMBL8310017 0.77 HSD17B10 (0.35) HSD17B10TSHRTHRBTHRALCK
SCHEMBL8310598 0.77 RAB9A (0.49) ALDH1A1
SCHEMBL8391702 0.74 LCK (0.40) HSD17B10TSHRLCKFYNALDH1A1
SCHEMBL8309730 0.74
SCHEMBL8309731 0.74

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