SCHEMBL8931996

SCHEMBL8931996

CC(COCCCO)(COCCCO)COCCCO

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
THRB P10828 1/20 0.34
HTT P42858 1/20 0.34
MAPT P10636 1/20 0.34
CES1 P23141 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPK1 P28482 1/20 0.32
GBA2 Q9HCG7 2/20 0.31

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
SCHEMBL5961026 0.84 GBA2 (0.41) TSHRCYP4F2CYP4A11MEN1KMT2A
SCHEMBL7596565 0.84 TSHR (0.39) TSHRCYP4F2CYP4A11MEN1KMT2A
SCHEMBL505525 0.83 TSHR (0.50) TSHRMEN1KMT2ATHRBHTT
SCHEMBL11026580 0.83 CYP4F2 (0.41) TSHRCYP4F2CYP4A11MEN1KMT2A
SCHEMBL19426852 0.80 MEN1 (0.41) TSHRCYP4F2CYP4A11MEN1KMT2A
SCHEMBL28256867 0.80 TSHR (0.36) TSHRCYP4F2CYP4A11MEN1KMT2A
SCHEMBL16099119 0.80 TSHR (0.36) TSHRCYP4F2CYP4A11MEN1KMT2A
SCHEMBL17932920 0.80 TSHR (0.41) TSHRCYP4F2CYP4A11MEN1KMT2A
SCHEMBL18961748 0.80 TSHR (0.41) TSHRMEN1KMT2ATHRBHTT
SCHEMBL14452967 0.80 TSHR (0.55) TSHRMEN1KMT2AMAPTALDH1A1

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
EP-0573848-B1 Bile-acid derivatives, a process for their production and their use as medicines HOECHST AG (DE) 1997-12-03 EP disclosed
US-5428182-A Hypolipidemic agents HOECHST AKTIENGESELLSCHAFT (DE) 1995-06-27 US disclosed
EP-0573848-A2 Bile-acid derivatives, a process for their production and their use as medicines HOECHST AKTIENGESELLSCHAFT (DE) 1993-12-15 EP disclosed