SCHEMBL14512349

SCHEMBL14512349

COc1cc(-c2ccc(OCc3ccccc3)c(OS(C)(=O)=O)c2)c(OC)cc1-c1ccc(OS(C)(=O)=O)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.52
PTGS2 P35354 4/20 0.45
PTGS1 P23219 1/20 0.45
SLK Q9H2G2 2/20 0.44
ALDH1A1 P00352 3/20 0.43
TSHR P16473 3/20 0.43
CTSV O60911 2/20 0.43
CTSL P07711 2/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 2/20 0.43
HSD17B10 Q99714 2/20 0.43
USP2 O75604 1/20 0.43
HPGD P15428 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
CYP1A1 P04798 1/20 0.41
CYP1A2 P05177 1/20 0.41
ABCB1 P08183 1/20 0.41
STK10 O94804 1/20 0.41

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
SCHEMBL14511937 0.93 TSHR (0.47) ERN1ALDH1A1TSHRCTSVCTSL
SCHEMBL14511950 0.91 ERN1 (0.44) ERN1PTGS2ALDH1A1TSHRKDM4E
SCHEMBL14512358 0.90 PTGS2 (0.43) ERN1PTGS2PTGS1ALDH1A1LMNA
SCHEMBL14512473 0.90 ERN1 (0.59) ERN1PTGS2PTGS1SLKALDH1A1
SCHEMBL14512474 0.90 CTSV (0.47) ERN1PTGS2PTGS1ALDH1A1CTSV
SCHEMBL14511940 0.88 MGAM (0.45) ALDH1A1TSHRKDM4ELMNAHSD17B10
SCHEMBL14512242 0.88 MGAM (0.54) ERN1ALDH1A1TSHRKDM4ELMNA
SCHEMBL14512973 0.87 MGAM (0.50) ERN1PTGS2PTGS1SLKALDH1A1
SCHEMBL14511815 0.86 TSHR (0.43) ERN1ALDH1A1TSHRCTSVCTSL
SCHEMBL14512394 0.85 RXRA (0.56) KDM4EHPGDSMN1; SMN2NPC1RAB9A

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-7220783-B2 Para-terphenyl compounds SHIONOGI & CO., LTD. (JP) 2007-05-22 US disclosed