SCHEMBL14512397

SCHEMBL14512397

COC(=O)c1ccc(-c2cc(OC)c(-c3ccc(OCc4ccccc4)c(OS(C)(=O)=O)c3)cc2OC)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
MAPT P10636 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
HPGD P15428 2/20 0.49
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
SMPD1 P17405 2/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
ABCB1 P08183 2/20 0.47
CASP3 P42574 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
RXRA P19793 1/20 0.46

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
SCHEMBL14512394 0.92 RXRA (0.56) SMN1; SMN2NPC1RAB9AHPGDKDM4E
SCHEMBL14512401 0.91 MAPT (0.52) SMN1; SMN2MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL14511937 0.89 TSHR (0.47) SMN1; SMN2MAPTCYP1A2NPC1RAB9A
SCHEMBL14512242 0.88 MGAM (0.54) SMN1; SMN2MAPTNPC1RAB9AHPGD
SCHEMBL14512116 0.88 MGAM (0.53) SMN1; SMN2MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL14511940 0.86 MGAM (0.45) SMN1; SMN2MAPTCYP1A2NPC1RAB9A
SCHEMBL14512393 0.85 EGFR (0.54) SMN1; SMN2MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL14511950 0.85 ERN1 (0.44) SMN1; SMN2CYP1A2NPC1RAB9AHPGD
SCHEMBL14512349 0.83 ERN1 (0.52) SMN1; SMN2MAPTCYP1A2NPC1RAB9A
SCHEMBL14512922 0.82 MGAM (0.41) SMN1; SMN2MAPTCYP1A2NPC1RAB9A

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