SCHEMBL2598846

SCHEMBL2598846

O=C(C=CC1C=CC=CC1)c1ccccc1.O=C(CCc1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 12/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
CASP3 P42574 2/20 0.43
SENP8 Q96LD8 2/20 0.43
SENP7 Q9BQF6 2/20 0.43
SENP6 Q9GZR1 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
DPP4 P27487 1/20 0.36
KEAP1 Q14145 1/20 0.35
BCHE P06276 1/20 0.34

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
SCHEMBL29561663 0.86 MAPT (0.42) GPR52NPC1RAB9ATDP1ALDH1A1
SCHEMBL30573 0.86 MAPT (0.42) GPR52NPC1RAB9ATDP1ALDH1A1
SCHEMBL28251467 0.86 MAPT (0.42) GPR52NPC1RAB9ATDP1ALDH1A1
Methane SCHEMBL28134892 0.85 MAPT (0.41) GPR52NPC1RAB9ATDP1ALDH1A1
SCHEMBL22720628 0.85 MAPT (0.41) GPR52NPC1RAB9ATDP1ALDH1A1
Bicarbonate SCHEMBL28901195 0.85 MAPT (0.41) GPR52NPC1RAB9ATDP1ALDH1A1
SCHEMBL11851207 0.85 MAPT (0.41) GPR52NPC1RAB9ATDP1ALDH1A1
SCHEMBL27540791 0.85 MAPT (0.41) GPR52NPC1RAB9ATDP1ALDH1A1
Phloretin SCHEMBL1260339 0.84 SLC5A1 (0.51) TDP1ALDH1A1HPGDMEN1CYP1A2
Alcohol SCHEMBL11308930 0.83 AKT1 (0.39) GPR52NPC1RAB9AALDH1A1HPGD

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-2011144579-A1 IMPROVED PREPARATION OF CHALCONE DERIVATIVES GENFIT (FR) 2011-11-24 WO disclosed