SCHEMBL4550535

SCHEMBL4550535

C=CC/C=C(/OCCCCC)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.45
TSHR P16473 6/20 0.44
HPGD P15428 1/20 0.44
NAAA Q02083 1/20 0.42
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40
EPHX1 P07099 1/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL27470349 0.82 HCAR2 (0.50) HCAR2TSHRHPGDNAAATP53
SCHEMBL9238623 0.82 HCAR2 (0.50) HCAR2TSHRHPGDNAAATP53
SCHEMBL10644939 0.81 HCAR2 (0.49) HCAR2TSHRHPGDNAAATP53
SCHEMBL10644931 0.81 HCAR2 (0.49) HCAR2TSHRHPGDNAAATP53
SCHEMBL898553 0.78 HCAR2 (0.53) HCAR2TSHRHPGDNAAATP53
SCHEMBL898555 0.78 HCAR2 (0.53) HCAR2TSHRHPGDNAAATP53
SCHEMBL125749 0.77 ATM (0.50) HCAR2TSHRHPGDNAAAMAPK1
SCHEMBL325190 0.77 TSHR (0.54) HCAR2TSHRHPGDNAAATP53
SCHEMBL9709320 0.75 TSHR (0.57) HCAR2TSHRHPGDNAAATP53
SCHEMBL10761848 0.75 TSHR (0.57) HCAR2TSHRHPGDNAAATP53

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-2029935-B1 DEVICE FOR SIGNS D DUE DIVISIONE LASER S R L (IT) 2009-12-23 EP claimed