SCHEMBL7943868

SCHEMBL7943868

C=C(C=C(CCCC)C(=O)O)C(=O)OCCCCCCCCCCCCCCCCCC

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.53
HCAR2 Q8TDS4 2/20 0.43
NAAA Q02083 1/20 0.41
RAD52 P43351 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
EPHX1 P07099 1/20 0.39
HTR2C P28335 1/20 0.38
DGKA P23743 1/20 0.38
CES2 O00748 1/20 0.37
HPGD P15428 1/20 0.37
APEX1 P27695 2/20 0.36
EPHX2 P34913 2/20 0.36
FAAH O00519 1/20 0.36

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
SCHEMBL8006266 0.93 TSHR (0.49) TSHRHCAR2NAAARAD52NPSR1
SCHEMBL6131250 0.88 TSHR (0.41) TSHRHCAR2HPGDAPEX1
SCHEMBL6710667 0.87 TSHR (0.41) TSHRHCAR2HPGDAPEX1
SCHEMBL10953969 0.82 TSHR (0.65) TSHRHCAR2NAAARAD52NPSR1
SCHEMBL27816436 0.82 TSHR (0.65) TSHRHCAR2NAAARAD52NPSR1
SCHEMBL6274865 0.82 TSHR (0.60) TSHRHCAR2NAAARAD52NPSR1
SCHEMBL28078386 0.82 TSHR (0.60) TSHRHCAR2NAAARAD52NPSR1
SCHEMBL14660709 0.82 TSHR (0.60) TSHRHCAR2NAAARAD52NPSR1
SCHEMBL17063567 0.82 TSHR (0.60) TSHRHCAR2NAAARAD52NPSR1
SCHEMBL10950921 0.82 TSHR (0.39) TSHRHCAR2NPSR1EPHX1HPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6270615-B1 THERMOPLASTIC RESIN KANEKA CORPORATION (JP) 2001-08-07 US claimed
US-6270615-B1 THERMOPLASTIC RESIN KANEKA CORPORATION (JP) 2001-08-07 US disclosed