SCHEMBL9129151

SCHEMBL9129151

COC(=O)C(C)(C)CCCCCCCCCBr

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
ACLY P53396 1/20 0.37
ACACB O00763 1/20 0.36
ACACA Q13085 1/20 0.36
TSHR P16473 2/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
ACAT1 P24752 1/20 0.34
SOAT1 P35610 1/20 0.34
DGAT1 O75907 1/20 0.33
HTT P42858 1/20 0.33
FFAR1 O14842 1/20 0.33
CPT2 P23786 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CTSK P43235 1/20 0.32
MEN1 O00255 1/20 0.31

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
SCHEMBL8986987 1.00 CYP4F2 (0.46) CYP4F2CYP4A11ACLYACACBACACA
SCHEMBL8987098 1.00 CYP4F2 (0.46) CYP4F2CYP4A11ACLYACACBACACA
SCHEMBL4650865 0.98 CYP4F2 (0.43) CYP4F2CYP4A11ACLYACACBACACA
SCHEMBL4122676 0.92 CYP4F2 (0.40) CYP4F2CYP4A11ACLYACACBACACA
SCHEMBL1661232 0.83 DGAT1 (0.38) CYP4F2CYP4A11TSHRDGAT1ELANE
SCHEMBL23971207 0.82 CYP4F2 (0.44) CYP4F2CYP4A11ACLYACACBACACA
SCHEMBL14809987 0.82 TSHR (0.52) CYP4F2CYP4A11ACLYTSHRKMT2A
SCHEMBL28738660 0.82 TSHR (0.52) CYP4F2CYP4A11ACLYTSHRKMT2A
SCHEMBL23970490 0.82 CYP4F2 (0.44) CYP4F2CYP4A11ACLYACACBACACA
SCHEMBL14891456 0.82 TSHR (0.52) CYP4F2CYP4A11ACLYTSHRKMT2A

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-5468888-A Lupane derivatives, their preparation and the pharmaceutical compositions which contain them RHONE-POULENC RORER S.A. (FR) 1995-11-21 US disclosed