SCHEMBL13953151

SCHEMBL13953151

CCC1(CC2(c3cc(Cl)cc(Cl)c3)CO2)C(=O)c2ccccc2C1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.34
MAPT P10636 4/20 0.33
TP53 P04637 1/20 0.33
NPSR1 Q6W5P4 3/20 0.32
ALDH1A1 P00352 3/20 0.32
HTT P42858 2/20 0.32
ALOX12 P18054 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SAE1 Q9UBE0 1/20 0.32
UBA2 Q9UBT2 1/20 0.32
UTS2R Q9UKP6 4/20 0.32
SLC6A4 P31645 3/20 0.32
CHRNA1 P02708 3/20 0.32
CHRNB1 P11230 3/20 0.32
CHRNB2 P17787 3/20 0.32
SLC6A2 P23975 3/20 0.32
CHRNB4 P30926 3/20 0.32

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
SCHEMBL2622466 0.93 PGR (0.32) PGRMAPTTP53NPSR1ALDH1A1
(Rs)-Indanofan SCHEMBL65575 0.90 SLC6A3 (0.40) PGRMAPTTP53NPSR1ALDH1A1
(Rs)-Indanofan SCHEMBL29490898 0.90 SLC6A3 (0.40) PGRMAPTTP53NPSR1ALDH1A1
(R)-Indanofan SCHEMBL30750972 0.90 SLC6A3 (0.40) PGRMAPTTP53NPSR1ALDH1A1
(Rs)-Indanofan SCHEMBL28281074 0.89 SLC6A3 (0.39) PGRMAPTTP53NPSR1ALDH1A1
SCHEMBL7057276 0.88 UTS2R (0.42) PGRMAPTNPSR1ALDH1A1HTT
SCHEMBL2622454 0.85 MAPT (0.39) MAPTTP53NPSR1ALDH1A1ALOX12
SCHEMBL13953152 0.81 SLC6A3 (0.37) PGRSLC6A4CHRNA1CHRNB1CHRNB2
SCHEMBL2622458 0.81 NPSR1 (0.43) MAPTNPSR1ALDH1A1LMNAUTS2R
SCHEMBL7057272 0.80 GRIN1 (0.40) PGRMAPTNPSR1ALDH1A1ALOX12

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9757407-B2 Treatment of viral infections by modulation of host cell metabolic pathways THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2017-09-12 US disclosed
EP-2581081-A2 Treatment of viral infections by modulation of host cell metabolic pathways THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2013-04-17 EP disclosed
EP-2572712-A2 Treatment of viral infections by modulation of host cell metabolic pathways THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2013-03-27 EP disclosed
WO-2009023059-A2 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2009-02-19 WO disclosed