SCHEMBL8823934

SCHEMBL8823934

NCC(O)COc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.86

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.55
PLA2G2A P14555 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
LMNA P02545 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
MAPT P10636 1/20 0.51
HTT P42858 1/20 0.51
CYP2D6 P10635 2/20 0.50
ADRB2 P07550 1/20 0.50
ADRB1 P08588 1/20 0.50
ADRB3 P13945 1/20 0.50
KMT2A Q03164 1/20 0.50
KDM4E B2RXH2 1/20 0.49
ALOX15 P16050 1/20 0.49
NR2E1 Q9Y466 1/20 0.49

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
SCHEMBL4019175 0.93 L3MBTL1 (0.61) L3MBTL1LMNASMN1; SMN2MAPTHTT
SCHEMBL2021875 0.93 L3MBTL1 (0.61) L3MBTL1LMNASMN1; SMN2MAPTHTT
SCHEMBL5878404 0.93 L3MBTL1 (0.61) L3MBTL1LMNASMN1; SMN2MAPTHTT
Hydrochloric Acid SCHEMBL4925995 0.91 L3MBTL1 (0.64) L3MBTL1LMNASMN1; SMN2MAPTHTT
Hydrochloric Acid SCHEMBL6539516 0.91 L3MBTL1 (0.64) L3MBTL1LMNASMN1; SMN2MAPTHTT
SCHEMBL772836 0.88 HTR1D (0.52) L3MBTL1SMN1; SMN2MAPTKMT2AKDM4E
SCHEMBL11127254 0.87 SMN1; SMN2 (0.61) L3MBTL1LMNASMN1; SMN2MAPTHTT
SCHEMBL772498 0.86 KDM1A (0.56) L3MBTL1LMNASMN1; SMN2MAPTHTT
SCHEMBL8994531 0.84 TSHR (0.56) LTA4HL3MBTL1LMNASMN1; SMN2MAPT
SCHEMBL1496800 0.84 TSHR (0.56) LTA4HL3MBTL1LMNASMN1; SMN2MAPT

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
WO-1997049668-A1 INHIBITIORS OF CYSTEINE PROTEASE SMITHKLINE BEECHAM CORPORATION (US) 1997-12-31 WO disclosed