SCHEMBL3930258

SCHEMBL3930258

C=C(c1ccccc1)c1ccccc1.CCc1cccc2cc3ccc4cc5ccccc5cc4c3cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.40
NQO2 P16083 1/20 0.40
MTNR1B P49286 1/20 0.40
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 2/20 0.37
CYP1A2 P05177 2/20 0.37
HPGD P15428 1/20 0.37
KDM4E B2RXH2 2/20 0.36
GAA P10253 1/20 0.36
CTNNB1 P35222 1/20 0.35
PPARG P37231 1/20 0.35
GPR84 Q9NQS5 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GRM2 Q14416 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KCNK3 O14649 1/20 0.35
KCNK9 Q9NPC2 1/20 0.35
HIF1A Q16665 1/20 0.34
CYP1B1 Q16678 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
SCHEMBL544574 0.86 ALDH1A1 (0.47) MTNR1AALDH1A1HSD17B10CYP1A2HPGD
SCHEMBL2987953 0.85 ALDH1A1 (0.46) MTNR1AALDH1A1HSD17B10CYP1A2HPGD
Hydrogen Peroxide SCHEMBL28103162 0.84 KDM4E (0.47) MTNR1ANQO2MTNR1BALDH1A1HSD17B10
SCHEMBL498622 0.81 ALDH1A1 (0.46) MTNR1ANQO2ALDH1A1HSD17B10CYP1A2
SCHEMBL31158567 0.79 ALDH1A1 (0.44) MTNR1ANQO2ALDH1A1HSD17B10CYP1A2
Ether SCHEMBL28163199 0.79 ALDH1A1 (0.41) MTNR1AALDH1A1HSD17B10CYP1A2HPGD
Formic Acid SCHEMBL29102709 0.77 KDM4E (0.43) MTNR1AALDH1A1HSD17B10CYP1A2HPGD
Hydroquinone SCHEMBL28096382 0.77 GABRA1 (0.45) MTNR1AMTNR1BALDH1A1CYP1A2KDM4E
Anthracene SCHEMBL27473759 0.74 MEN1 (0.50) ALDH1A1HSD17B10CYP1A2HPGDKDM4E
SCHEMBL6735943 0.73 ALDH1A1 (0.44) MTNR1ANQO2ALDH1A1HSD17B10CYP1A2

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
US-20090318618-A1 POLYMER COMPOSITION FOR AQUEOUS BINDER JSR CORPORATION (JP) 2009-12-24 US disclosed