SCHEMBL8987148

SCHEMBL8987148

COC(=O)C(C)(C)CCCCN

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
PAOX Q6QHF9 3/20 0.36
FDPS P14324 2/20 0.36
DGAT1 O75907 1/20 0.34
ACLY P53396 1/20 0.34
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
CYP2D6 P10635 1/20 0.33
NFKB1 P19838 1/20 0.33
CPB2 Q96IY4 1/20 0.33
CYP1A2 P05177 1/20 0.32
ALOX15 P16050 2/20 0.32
THRB P10828 2/20 0.32
BLM P54132 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PLG P00747 1/20 0.32
LMNA P02545 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
SCHEMBL9128079 0.98 CYP4F2 (0.46) CYP4F2CYP4A11PAOXFDPSDGAT1
SCHEMBL13689469 0.94 CYP4F2 (0.40) CYP4F2CYP4A11PAOXFDPSDGAT1
SCHEMBL1555747 0.87 DGAT1 (0.39) CYP4F2CYP4A11FDPSDGAT1ALDH1A1
Hydrochloric Acid SCHEMBL4316792 0.85 DGAT1 (0.38) CYP4F2CYP4A11FDPSDGAT1LMNA
SCHEMBL517552 0.82 CYP4F2 (0.42) CYP4F2CYP4A11PAOXFDPSDGAT1
SCHEMBL31325597 0.82 ARG1 (0.39) PAOXFDPSDGAT1CYP2D6NFKB1
SCHEMBL6371095 0.81 CYP4A11 (0.63) CYP4F2CYP4A11DGAT1ACLYACACB
SCHEMBL1996919 0.81 CYP4F2 (0.48) CYP4F2CYP4A11FDPSALOX15MEN1
SCHEMBL6389074 0.80 CYP4F2 (0.68) CYP4F2CYP4A11PAOXFDPSCPB2
SCHEMBL2022397 0.79 DGAT1 (0.44) CYP4F2CYP4A11DGAT1THRBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5492915-A ANTIINFLAMMATORY AGENTS RHONE-POULENC RORER S.A. (FR) 1996-02-20 US disclosed
US-5366982-A Antiinflammatory agents or antihistamines RHONE-POULENC RORER S.A. (FR) 1994-11-22 US disclosed
EP-0540604-A1 SUBSTITUTED BICYCLIC BIS-ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B 4? ANTAGONIST ACTIVITY, THEIR PREPARATION AND USE IN PHARMACEUTICAL COMPOSITIONS Aventis Pharma S.A. (FR) 1993-05-12 EP disclosed
WO-1992001675-A2 SUBSTITUTED BICYCLIC BIS-ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B4 ANTAGONIST ACTIVITY, THEIR PREPARATION AND USE IN PHARMACEUTICAL COMPOSITIONS RHONE-POULENC RORER S.A. (FR) 1992-02-06 WO disclosed