SCHEMBL4453609

SCHEMBL4453609

COC(=O)c1ccc2c(-c3ccccc3)cn(CCCCC(=O)OCc3ccccc3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 1/20 0.43
MAPT P10636 3/20 0.43
RAB9A P51151 2/20 0.43
KDM4E B2RXH2 4/20 0.42
GAA P10253 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
HPGD P15428 2/20 0.42
ALDH1A1 P00352 3/20 0.41
CNR2 P34972 5/20 0.40
SCN9A Q15858 2/20 0.40
CNR1 P21554 5/20 0.40
LMNA P02545 2/20 0.40
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38

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
SCHEMBL4333426 0.87 ALDH1A1 (0.48) F2RL3MAPTKDM4EGAAMEN1
SCHEMBL4330806 0.83 CAMK2D (0.45) F2RL3MEN1KMT2AHPGDALDH1A1
SCHEMBL13577950 0.81 MAPK1 (0.45) MAPTRAB9AGAAMEN1KMT2A
SCHEMBL13577954 0.80 DRD2 (0.45) F2RL3MEN1KMT2AHPGDALDH1A1
SCHEMBL13577941 0.80 ASH1L (0.48) F2RL3MEN1KMT2AHPGDALDH1A1
Hydrochloric Acid SCHEMBL4326712 0.79 ASH1L (0.47) F2RL3MEN1KMT2AHPGDALDH1A1
SCHEMBL13577956 0.78 LMNA (0.47) MAPTRAB9AKDM4EMEN1KMT2A
SCHEMBL4326615 0.77 SCN9A (0.49) F2RL3MAPTKDM4EGAAMEN1
SCHEMBL4324539 0.76 SCN9A (0.44) F2RL3MEN1KMT2AHPGDALDH1A1
SCHEMBL4335986 0.75 NPC1 (0.47) MAPTRAB9AHPGDSCN9ALMNA

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-2009147121-A1 CARBOXYL SUBSTITUTED INDOLES FOR USE AS PPAR ALPHA MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2009-12-10 WO disclosed
WO-2009147121-A1 CARBOXYL SUBSTITUTED INDOLES FOR USE AS PPAR ALPHA MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2009-12-10 WO disclosed