SCHEMBL14037348

SCHEMBL14037348

CCOC(=O)C(C)(C)CC(CSC(C)(C)C)=C1C=C1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
ABCB11 O95342 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
HTR2A P28223 1/20 0.36
PMP22 Q01453 1/20 0.36
PPARA Q07869 1/20 0.36
STING1 Q86WV6 1/20 0.33
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CNR2 P34972 3/20 0.33
PIN1 Q13526 1/20 0.32
OPRK1 P41145 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MMP8 P22894 1/20 0.31
MAPT P10636 1/20 0.30
HIF1A Q16665 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
SCHEMBL126001 0.78 CYP4F2 (0.42) CYP4F2CYP4A11ABCB11CYP1A2CYP3A4
SCHEMBL28724880 0.73 CYP4F2 (0.38) CYP4F2CYP4A11MMP8MAPT
SCHEMBL1245761 0.66 CYP4F2 (0.50) CYP4F2CYP4A11ABCB11CYP1A2CYP3A4
SCHEMBL14218515 0.66 CYP4F2 (0.50) CYP4F2CYP4A11ABCB11CYP1A2CYP3A4
SCHEMBL8354123 0.66 GAA (0.48) CYP1A2TSHRPOLBALDH1A1
SCHEMBL8888149 0.66 CYP4F2 (0.50) CYP4F2CYP4A11ABCB11CYP1A2CYP3A4
SCHEMBL1829725 0.66 CYP4F2 (0.50) CYP4F2CYP4A11TSHRPIN1ALDH1A1
SCHEMBL3468249 0.66 CYP4F2 (0.44) CYP4F2CYP4A11ABCB11CYP1A2CYP3A4
SCHEMBL10596544 0.65 TSHR (0.56) ABCB11CYP1A2CYP3A4TSHRHTR2A
SCHEMBL12121808 0.64 CYP4F2 (0.48) CYP4F2CYP4A11ABCB11CYP1A2CYP3A4

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
WO-2008137609-A1 5-LIPOXYGENASE-ACTIVATING PROTEIN (FLAP) INHIBITORS AMIRA PHARMACEUTICALS, INC. (US) 2008-11-13 WO disclosed