SCHEMBL5188239

SCHEMBL5188239

CCCC(=O)CCC(=O)CCC(=O)OC(C)(C)CCCC(C)C

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.31
LMNA P02545 2/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTR2C P28335 1/20 0.30
PRSS1 P07477 1/20 0.30
CTSG P08311 1/20 0.30
CTRB1 P17538 1/20 0.30
CMA1 P23946 1/20 0.30

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
SCHEMBL5186531 0.90 LMNA (0.41) LMNAALDH1A1HTR2C
SCHEMBL5728259 0.88
SCHEMBL9847790 0.85 HTR2C (0.39) LMNAALDH1A1HTR2C
SCHEMBL17878534 0.78 CA1 (0.38) CTSKLMNACA1CA2ALDH1A1
SCHEMBL646201 0.77 PAM (0.38) LMNACA1CA2ALDH1A1HTR2C
SCHEMBL5187658 0.77 GPR84 (0.48) LMNA
SCHEMBL7705563 0.76 TSHR (0.38) LMNAHTR2C
SCHEMBL27952449 0.75 CA1 (0.33) LMNACA1
SCHEMBL21239299 0.74 KDM4C (0.34) LMNACA1
SCHEMBL24580161 0.74 TDP1 (0.35) ALDH1A1

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-1760067-A2 Compounds with protected hydroxy groups Givaudan SA (CH) 2007-03-07 EP disclosed