SCHEMBL7078635

SCHEMBL7078635

C=CC[C@H]([O])[C@@H]([O])CCCCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
ALDH1A1 P00352 2/20 0.37
LCK P06239 1/20 0.36
PPARD Q03181 1/20 0.36
ZDHHC20 Q5W0Z9 1/20 0.36
ZDHHC2 Q9UIJ5 1/20 0.36
FAAH O00519 1/20 0.36
ADH1B P00325 1/20 0.35
ADH1C P00326 1/20 0.35
ADH1A P07327 1/20 0.35
ADH4 P08319 1/20 0.35
ADH7 P40394 1/20 0.35
OPRM1 P35372 1/20 0.34
FDPS P14324 4/20 0.34
FFAR1 O14842 2/20 0.34
FFAR4 Q5NUL3 1/20 0.34
TRPA1 O75762 1/20 0.34
DDAH1 O94760 1/20 0.34
GAPDH P04406 1/20 0.34
MAPT P10636 1/20 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
SCHEMBL7077831 0.81 LCK (0.48) TSHRLCKPPARDZDHHC20ZDHHC2
SCHEMBL8014583 0.80 TSHR (0.41) TSHRALDH1A1LCKPPARDZDHHC20
SCHEMBL26092121 0.78 TSHR (0.44) TSHRALDH1A1LCKPPARDZDHHC20
SCHEMBL7074742 0.75 TSHR (0.38) TSHR
SCHEMBL585816 0.75 TSHR (0.37) TSHRALDH1A1FAAHADH1BADH1C
SCHEMBL11766872 0.75 LMNA (0.46) TSHRALDH1A1FAAHADH1BADH1C
SCHEMBL6455169 0.75 LMNA (0.46) TSHRALDH1A1FAAHADH1BADH1C
SCHEMBL28975659 0.74 TSHR (0.44) TSHRALDH1A1LCKPPARDZDHHC20
SCHEMBL29018755 0.74 TSHR (0.44) TSHRALDH1A1LCKPPARDZDHHC20
SCHEMBL28975666 0.74 TSHR (0.44) TSHRALDH1A1LCKPPARDZDHHC20

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-1354886-A1 Process for the preparation of tertiary phosphines Bayer Aktiengesellschaft (DE) 2003-10-22 EP disclosed