SCHEMBL11030815

SCHEMBL11030815

O=C(O)CCCCCCCCCC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 8/20 0.53
ALOX5 P09917 1/20 0.53
GRIN2D O15399 2/20 0.52
GRIN3B O60391 2/20 0.52
GRIN1 Q05586 2/20 0.52
GRIN2A Q12879 2/20 0.52
GRIN2B Q13224 2/20 0.52
GRIN2C Q14957 2/20 0.52
GRIN3A Q8TCU5 2/20 0.52
LMNA P02545 2/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
PMP22 Q01453 1/20 0.46
GPR84 Q9NQS5 1/20 0.45
FFAR1 O14842 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45
ALDH1A1 P00352 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.43
HDAC3 O15379 1/20 0.42

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
SCHEMBL10757410 1.00 EPHX2 (0.53) EPHX2ALOX5GRIN2DGRIN3BGRIN1
SCHEMBL27033177 1.00 EPHX2 (0.53) EPHX2ALOX5GRIN2DGRIN3BGRIN1
SCHEMBL10760637 1.00 EPHX2 (0.53) EPHX2ALOX5GRIN2DGRIN3BGRIN1
SCHEMBL6046118 1.00 EPHX2 (0.53) EPHX2ALOX5GRIN2DGRIN3BGRIN1
SCHEMBL9242092 1.00 EPHX2 (0.53) EPHX2ALOX5GRIN2DGRIN3BGRIN1
SCHEMBL10756954 1.00 EPHX2 (0.53) EPHX2ALOX5GRIN2DGRIN3BGRIN1
SCHEMBL1758579 0.98 GRIN2D (0.53) EPHX2ALOX5GRIN2DGRIN3BGRIN1
SCHEMBL6864625 0.98 GRIN2D (0.53) EPHX2ALOX5GRIN2DGRIN3BGRIN1
SCHEMBL28976473 0.92 TSHR (0.50) EPHX2ALOX5LMNATSHRNFKB1
SCHEMBL6159216 0.92 GRIN2D (0.52) EPHX2ALOX5GRIN2DGRIN3BGRIN1

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
US-4424387-A STRONG ACID, BRANCHING EXXON RESEARCH AND ENGINEERING CO. (US) 1984-01-03 US disclosed