SCHEMBL4044191

SCHEMBL4044191

CCOc1cc(C=O)c(-c2cc(-c3nccs3)ccc2N)c(OCC)c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.39
HDAC2 Q92769 2/20 0.38
SMPD3 Q9NY59 1/20 0.37
CHEK2 O96017 1/20 0.35
ERN1 O75460 2/20 0.34
EGFR P00533 1/20 0.34
KCNB1 Q14721 7/20 0.34
KCNA5 P22460 1/20 0.34
ALDH1A1 P00352 2/20 0.33
POLB P06746 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33

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
SCHEMBL4034103 0.81 SMPD3 (0.40) PTGDR2HDAC2SMPD3CHEK2ERN1
SCHEMBL4039376 0.79 PTGDR2 (0.40) PTGDR2HDAC2SMPD3CHEK2ERN1
SCHEMBL15225671 0.73 SMPD3 (0.40) PTGDR2HDAC2SMPD3CHEK2ERN1
SCHEMBL4034089 0.72 SMPD3 (0.46) PTGDR2SMPD3ERN1MAPT
SCHEMBL1307966 0.72 HDAC2 (0.47) PTGDR2HDAC2SMPD3CHEK2EGFR
SCHEMBL15226001 0.71 SMPD3 (0.40) PTGDR2HDAC2SMPD3CHEK2
SCHEMBL4036742 0.71 SMPD3 (0.38) PTGDR2HDAC2SMPD3CHEK2ERN1
SCHEMBL27409981 0.71 POLB (0.50) PTGDR2HDAC2SMPD3EGFRKCNB1
SCHEMBL4035391 0.70 PTGDR2 (0.40) PTGDR2SMPD3CHEK2ERN1KCNB1
SCHEMBL4034301 0.68 GABRA1 (0.41) PTGDR2SMPD3ERN1ALDH1A1MAPT

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
EP-2066632-A1 BENZOPHENONE DERIVATIVES USEFUL FOR INHIBITING FORMATION OF MICROTUBULE Chong Kun Dang Pharmaceutical Corp. (KR) 2009-06-10 EP claimed
WO-2008038955-A1 BENZOPHENONE DERIVATIVES USEFUL FOR INHIBITING FORMATION OF MICROTUBULE CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2008-04-03 WO claimed