SCHEMBL9876145

SCHEMBL9876145

CCCCC(CCC)OC(=O)C1CCC(C(=O)O)CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.40
EPHX2 P34913 1/20 0.40
PLG P00747 1/20 0.33
PLAT P00750 1/20 0.33
LMNA P02545 1/20 0.33
CA2 P00918 1/20 0.33
MAPK1 P28482 1/20 0.33
S1PR5 Q9H228 2/20 0.33
TP53 P04637 1/20 0.33
S1PR1 P21453 1/20 0.32
PRKCA P17252 1/20 0.32
PRKCD Q05655 1/20 0.32
PPM1B O75688 1/20 0.32
PTPN1 P18031 1/20 0.32
METAP1 P53582 1/20 0.32
PPP1CC P36873 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
SCHEMBL27626107 0.92 EPHX2 (0.39) CTSKEPHX2CA2S1PR5S1PR1
SCHEMBL5364963 0.92 EPHX2 (0.39) CTSKEPHX2CA2S1PR5S1PR1
SCHEMBL5371355 0.88 EPHX2 (0.37) CTSKEPHX2S1PR5TP53
SCHEMBL27625979 0.85 ACE2 (0.36) CTSKEPHX2LMNAS1PR5TP53
SCHEMBL27646554 0.84 EPHX2 (0.39) EPHX2CA2MAPK1PRKCAPRKCD
SCHEMBL17040432 0.84 EPHX2 (0.38) CTSKEPHX2TP53PRKCAPRKCD
SCHEMBL27626166 0.81 EPHX2 (0.37) CTSKEPHX2CA2S1PR5
SCHEMBL5362953 0.80 EPHX2 (0.45) CTSKEPHX2S1PR5S1PR1
SCHEMBL5363251 0.80 EPHX2 (0.45) CTSKEPHX2S1PR5S1PR1
SCHEMBL5372110 0.80 EPHX2 (0.45) CTSKEPHX2S1PR5S1PR1

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-5030771-A Heating and pressurization in the presence of a copper chromite catalyst HUELS AKTIENGESELLSCHAFT (DE) 1991-07-09 US disclosed