SCHEMBL9837849

SCHEMBL9837849

COc1ccc(C(O)(Cc2ccccc2)c2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
HTT P42858 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
LTA4H P09960 1/20 0.52
KIF11 P52732 7/20 0.51
KCNH2 Q12809 1/20 0.51
CYP1A2 P05177 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP3A4 P08684 1/20 0.50
HIF1A Q16665 1/20 0.50
KCNA5 P22460 1/20 0.50
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
ALDH1A1 P00352 1/20 0.45
MMP1 P03956 1/20 0.44
MMP9 P14780 1/20 0.44
MMP13 P45452 1/20 0.44

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
SCHEMBL8612119 0.98 LTA4H (0.53) LMNAHTTSMN1; SMN2LTA4HKIF11
SCHEMBL10368035 0.95 HTT (0.56) LMNAHTTSMN1; SMN2LTA4HKIF11
SCHEMBL9839441 0.89 HTT (0.54) LMNAHTTSMN1; SMN2LTA4HKMT2A
SCHEMBL27098301 0.86 KIF11 (0.58) LMNAHTTSMN1; SMN2LTA4HKIF11
SCHEMBL7025430 0.84 LTA4H (0.53) LMNAHTTSMN1; SMN2LTA4HKIF11
SCHEMBL30475391 0.84 LTA4H (0.57) LMNAHTTSMN1; SMN2LTA4HKIF11
SCHEMBL28596222 0.83 SMN1; SMN2 (0.55) LMNAHTTSMN1; SMN2LTA4HKIF11
SCHEMBL912792 0.83 CYP2C9 (0.67) LMNASMN1; SMN2KIF11CYP1A2CYP2C9
SCHEMBL28440590 0.82 KIF11 (0.54) LMNAHTTSMN1; SMN2LTA4HKIF11
SCHEMBL28076975 0.82 KIF11 (0.54) LMNAHTTSMN1; SMN2LTA4HKIF11

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-5015666-A With hydroxy or alkoxy substituents on the triarylcyclopropanes Board of Reagents of the University of Oklahoma (US) 1991-05-14 US disclosed