SCHEMBL9019899

SCHEMBL9019899

C=C(C)C(=O)OC(CCCCC)OC(=O)C(=C)C.C=C(C)C(=O)OCCOCCOCCOC(=O)C(=C)C

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.57
THRB P10828 2/20 0.54
FAAH O00519 1/20 0.36
SMPD1 P17405 3/20 0.35
DGKA P23743 1/20 0.34
ZDHHC7 Q9NXF8 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HTT P42858 2/20 0.33
CES2 O00748 1/20 0.33
PLA2G2A P14555 1/20 0.33
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PLA2G2C Q5R387 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL60550 0.87 TSHR (0.52) TSHRFAAHSMPD1ZDHHC7ALDH1A1
SCHEMBL6986547 0.86 TSHR (0.55) TSHRFAAHSMPD1ZDHHC7
SCHEMBL310410 0.86 TSHR (0.55) TSHRFAAHSMPD1ZDHHC7
SCHEMBL29931633 0.86 TSHR (0.55) TSHRFAAHSMPD1ZDHHC7
SCHEMBL22572582 0.86 TSHR (0.55) TSHRFAAHSMPD1ZDHHC7
SCHEMBL22572596 0.86 TSHR (0.55) TSHRFAAHSMPD1ZDHHC7
SCHEMBL22572612 0.86 TSHR (0.55) TSHRFAAHSMPD1ZDHHC7
SCHEMBL486940 0.86 TSHR (0.55) TSHRFAAHSMPD1ZDHHC7
SCHEMBL487209 0.86 TSHR (0.55) TSHRFAAHSMPD1ZDHHC7
SCHEMBL9070000 0.86 TSHR (0.55) TSHRFAAHSMPD1ZDHHC7

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-0464279-B1 Automotive sealing process CRODA INT PLC (GB) 1996-02-28 EP disclosed