SCHEMBL9465765

SCHEMBL9465765

Cc1ccc(=O)n(CCBr)n1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.38
LMNA P02545 3/20 0.34
ALDH1A1 P00352 2/20 0.33
PPARG P37231 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
GLS O94925 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
TP53 P04637 2/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
KDM4E B2RXH2 2/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
APAF1 O14727 1/20 0.31
POLB P06746 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
SCHEMBL7687832 0.87 PDE4A (0.36) PTGS2PPARGKDM4E
SCHEMBL10044413 0.82 PTGS2 (0.53) PTGS2LMNAALDH1A1CYP1A2CYP2C19
SCHEMBL7926564 0.81 GAA (0.44) PTGS2LMNAPPARGMMP2MMP3
SCHEMBL14074048 0.81 PTGS2 (0.38) PTGS2LMNAALDH1A1PPARGCYP1A2
SCHEMBL10044416 0.79 PTGS2 (0.43) PTGS2LMNAALDH1A1CYP1A2CYP2C19
SCHEMBL10196841 0.78 GAA (0.40) PTGS2LMNAALDH1A1MMP2MMP3
SCHEMBL11356386 0.76 PTGS2 (0.42) PTGS2LMNAALDH1A1MMP2MMP3
SCHEMBL18102200 0.76 LMNA (0.36) PTGS2LMNAALDH1A1PPARGMMP2
SCHEMBL14074024 0.73 SMN1; SMN2 (0.41) PTGS2LMNAALDH1A1MMP2MMP3
SCHEMBL14446918 0.73 LMNA (0.59) LMNAALDH1A1TP53KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE34201-E Analgesics ANAQUEST, INC. (US) 1993-03-23 US disclosed
US-5053411-A Analgesics ANAQUEST, INC. (US) 1991-10-01 US disclosed
EP-0396282-A2 N-aryl-N-[4-(heterocyclicalkyl) piperidinyl]amides and pharmaceutical compositions and methods employing such compounds BOC, INC. (US) 1990-11-07 EP disclosed