SCHEMBL28786246

SCHEMBL28786246

O=COCCc1cc(=O)c2cc(-c3ccc(O)cc3)ccc2o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.49
MAPT P10636 4/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
TP53 P04637 2/20 0.46
CYP3A4 P08684 2/20 0.46
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
THRB P10828 1/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
IP6K2 Q9UHH9 1/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP2D6 P10635 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
SCHEMBL28790189 0.80 APP (0.43) ALOX15APPPPARGLOXL2STS
SCHEMBL28290282 0.78 PPARG (0.60) MAPTNPC1RAB9ATP53CYP3A4
SCHEMBL28007144 0.72 FLT3 (0.44) MAPTNPC1HPGDMEN1KMT2A
SCHEMBL27610326 0.72 LOXL2 (0.42) MAPTHPGDMEN1KMT2AKDM4E
Ethoxycarbonyl Group SCHEMBL28786244 0.71 DYRK1A (0.46) MAPTTP53CYP3A4HPGDMEN1
SCHEMBL27823376 0.70 ESR1 (0.43) ACHEPPARG
SCHEMBL7573134 0.69 ALOX15 (0.81) ALOX15MAPTNPC1RAB9ATP53
SCHEMBL28031544 0.68 NOTUM (0.42) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL7673826 0.67 ALOX15 (0.92) ALOX15MAPTNPC1RAB9ATP53
SCHEMBL18397817 0.67 ALOX15 (0.64) ALOX15MAPTNPC1RAB9ATP53

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
CN-101977505-A Farnesoid x receptor agonists SMITHKLINE BEECHAM CORP 2011-02-16 CN disclosed