SCHEMBL9838128

SCHEMBL9838128

COc1ccc(C2C(Cl)(Cl)C2(c2ccc(OC)cc2)c2ccc(OCc3ccccc3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MAOB P27338 5/20 0.46
TP53 P04637 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
PKM P14618 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
LMNA P02545 2/20 0.44
MMP2 P08253 1/20 0.44
MMP13 P45452 1/20 0.44
APP P05067 3/20 0.43
CYP1A2 P05177 1/20 0.43
PTGS1 P23219 1/20 0.43
SLC6A2 P23975 1/20 0.43

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
SCHEMBL9839431 0.97 BCHE (0.46) BCHEMEN1KMT2AMAOBTP53
SCHEMBL8845637 0.84 OPRM1 (0.44) KMT2AMAOBTP53RAB9ASMN1; SMN2
SCHEMBL9839254 0.83 OPRM1 (0.46) KMT2AMAOBRAB9ANPC1
SCHEMBL9837820 0.83 CA12 (0.42) MEN1KMT2AMAOBTP53RAB9A
SCHEMBL8913782 0.81 MAOB (0.50) BCHEMEN1KMT2AMAOBTP53
SCHEMBL8913779 0.81 MAOB (0.50) BCHEMEN1KMT2AMAOBTP53
SCHEMBL9838108 0.81 LTA4H (0.43) KMT2ATP53RAB9APKMAPP
SCHEMBL8913796 0.81 MAOB (0.50) BCHEMEN1KMT2AMAOBTP53
SCHEMBL9839459 0.79 LTA4H (0.47) KMT2AMAOBTP53RAB9ASMN1; SMN2
SCHEMBL9839168 0.79 LTA4H (0.49) MEN1KMT2ATP53RAB9ASMN1; SMN2

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