SCHEMBL5698948

SCHEMBL5698948

NNC(=O)CCOc1ccc2cc(C(=O)O)ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
HDAC1 Q13547 1/20 0.47
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
THRA P10827 1/20 0.44
PKM P14618 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.44
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
PLA2G4B P0C869 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL4412917 0.90 NPC1 (0.53) HDAC1NPC1MAPTTHRATP53
SCHEMBL465148 0.83 KDM4E (0.65) KDM4ETHRAPKMMRGPRX4TP53
SCHEMBL465181 0.83 KDM4E (0.65) KDM4ETHRAPKMMRGPRX4TP53
SCHEMBL30726463 0.83 KDM4E (0.65) KDM4ETHRAPKMMRGPRX4TP53
SCHEMBL8084842 0.81 KDM4E (0.62) KDM4ETHRAPKMTP53TSHR
SCHEMBL8081564 0.81 KDM4E (0.62) KDM4ETHRAPKMTP53TSHR
SCHEMBL8082008 0.81 KDM4E (0.62) KDM4ETHRAPKMTP53TSHR
SCHEMBL8072222 0.81 KDM4E (0.62) KDM4ETHRAPKMTP53TSHR
SCHEMBL8072436 0.81 KDM4E (0.62) KDM4ETHRAPKMTP53TSHR
SCHEMBL8084863 0.81 KDM4E (0.62) KDM4ETHRAPKMTP53TSHR

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
EP-1686156-A1 POLYACETAL RESIN COMPOSITION Polyplastics Co., Ltd. (JP) 2006-08-02 EP disclosed