SCHEMBL4550536

SCHEMBL4550536

C=CCC(=COCCCCC)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.38
TSHR P16473 5/20 0.37
CES2 O00748 1/20 0.37
HPGD P15428 1/20 0.37
NAAA Q02083 1/20 0.34
PLA2G2C Q5R387 1/20 0.34
FAAH O00519 1/20 0.33
EP300 Q09472 1/20 0.33
EPHX1 P07099 1/20 0.33
PLA2G2A P14555 1/20 0.32
TP53 P04637 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
SCHEMBL27976698 0.85 TSHR (0.36) HCAR2TSHRCES2HPGDNAAA
SCHEMBL4816357 0.77 ATM (0.41) HCAR2TSHRHPGDNAAAEP300
SCHEMBL10346678 0.76 TSHR (0.51) TSHRFAAH
SCHEMBL28303915 0.75 ACHE (0.41) HCAR2TSHR
SCHEMBL27546196 0.75 TSHR (0.41) HCAR2TSHRCES2NAAA
SCHEMBL6557726 0.74
SCHEMBL10784944 0.74 TSHR (0.36) HCAR2TSHRHPGDPLA2G2C
SCHEMBL5069715 0.74 TSHR (0.41) HCAR2TSHRHPGD
SCHEMBL7677057 0.74 EP300 (0.53) TSHRFAAHEP300
SCHEMBL10784939 0.74 TSHR (0.36) HCAR2TSHRHPGDPLA2G2C

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