SCHEMBL11116735

SCHEMBL11116735

CCCCC1CCCC(CCCCCCCCCC(=O)OC)(C(=O)OC)C1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
NAAA Q02083 2/20 0.40
PSEN1 P49768 2/20 0.36
PSEN2 P49810 2/20 0.36
APH1B Q8WW43 2/20 0.36
NCSTN Q92542 2/20 0.36
APH1A Q96BI3 2/20 0.36
PSENEN Q9NZ42 2/20 0.36
PRKCA P17252 2/20 0.36
EPHX2 P34913 5/20 0.35
PTGIR P43119 2/20 0.35
PTGER2 P43116 2/20 0.35
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL9759370 0.72 CYP4F2 (0.47) CYP4F2CYP4A11NAAALMNAKMT2A
SCHEMBL8031542 0.72 CYP4F2 (0.49) CYP4F2CYP4A11NAAAPRKCAEPHX2
SCHEMBL15237365 0.72 CYP4F2 (0.49) CYP4F2CYP4A11NAAAPRKCAEPHX2
SCHEMBL28340207 0.71 NAAA (0.51) NAAAEPHX2PTGER2LMNAKMT2A
SCHEMBL27907746 0.71 NAAA (0.51) NAAAEPHX2PTGER2LMNAKMT2A
SCHEMBL3150942 0.70 CYP4F2 (0.72) CYP4F2CYP4A11NAAAKMT2A
SCHEMBL13546168 0.70 EPHX2 (0.53) NAAAEPHX2LMNAKMT2A
SCHEMBL9758351 0.70 CYP4F2 (0.44) CYP4F2CYP4A11NAAALMNAKMT2A
SCHEMBL9758136 0.69 CYP4F2 (0.47) CYP4F2CYP4A11NAAAKMT2ACYP1A2
SCHEMBL9757769 0.69 CYP4F2 (0.47) CYP4F2CYP4A11NAAAKMT2ACYP1A2

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-0098335-A1 Cycloaliphatic alcohols HENKEL CORPORATION (a Delaware corp.) (US) 1984-01-18 EP claimed