SCHEMBL4737221

SCHEMBL4737221

Cc1cc(OCCO)ccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 3/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
POLB P06746 2/20 0.56
ATM Q13315 1/20 0.56
PLEC Q15149 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.50
ALPL P05186 1/20 0.48
ALPI P09923 1/20 0.48
ALPG P10696 1/20 0.48
ESR1 P03372 3/20 0.48
CA12 O43570 4/20 0.46
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
CA9 Q16790 4/20 0.46
ESR2 Q92731 1/20 0.46
ALK Q9UM73 1/20 0.45
XDH P47989 1/20 0.44
ALDH2 P05091 3/20 0.44
MAOA P21397 2/20 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
SCHEMBL12909280 0.86 MEN1 (0.59) USP2MEN1KMT2APOLBATM
SCHEMBL12909308 0.86 ESR1 (0.51) USP2MEN1KMT2APOLBATM
SCHEMBL12909304 0.85 USP2 (0.51) USP2MEN1KMT2APOLBATM
SCHEMBL12909301 0.84 USP2 (0.68) USP2MEN1KMT2APOLBATM
SCHEMBL10030600 0.81 USP2 (0.64) USP2MEN1KMT2APOLBATM
SCHEMBL12909302 0.81 USP2 (0.53) USP2MEN1KMT2APOLBATM
SCHEMBL15164793 0.80 USP2 (0.46) USP2MEN1KMT2APOLBATM
SCHEMBL18506617 0.79 LMNA (0.49) USP2MEN1KMT2APOLBATM
SCHEMBL5468848 0.79 USP2 (0.71) USP2MEN1KMT2APOLBATM
SCHEMBL16808265 0.78 ALDH1A1 (0.51) USP2MEN1KMT2APOLBATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008075955-A2 PROCESS FOR THE PREPARATION OF 1,4,5-TRISUBSTITUTED TRIAZOLES AND 3,4,5-TRISUBSTITUTED TRIAZOLES STICHTING VOOR DE TECHNISCHE WETENSCHAPPEN (NL) 2008-06-26 WO disclosed
WO-2008075955-A2 PROCESS FOR THE PREPARATION OF 1,4,5-TRISUBSTITUTED TRIAZOLES AND 3,4,5-TRISUBSTITUTED TRIAZOLES STICHTING VOOR DE TECHNISCHE WETENSCHAPPEN (NL) 2008-06-26 WO disclosed