SCHEMBL14512401

SCHEMBL14512401

COC(=O)c1ccc(-c2cc(OC)c(-c3ccc(OCc4ccc(C)cc4)c(OS(C)(=O)=O)c3)cc2OC)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.52
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
ALDH1A1 P00352 2/20 0.44
PAX8 Q06710 1/20 0.44
LMNA P02545 3/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CTSK P43235 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
SMPD1 P17405 2/20 0.42
KMT2A Q03164 1/20 0.42
HPGD P15428 2/20 0.42
MRGPRX4 Q96LA9 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
SCHEMBL14512397 0.91 SMN1; SMN2 (0.50) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL14512122 0.88 MAPT (0.46) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL14512371 0.86 SYK (0.42) MAPTSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL14512358 0.83 PTGS2 (0.43) MAPTSMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL14512394 0.82 RXRA (0.56) SMN1; SMN2RAB9ANPC1PAX8HDAC1
SCHEMBL14512402 0.81 PTGES (0.45) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL14512089 0.81 MAPT (0.46) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL14512482 0.81 MGAM (0.46) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL13413481 0.80 MAPT (0.58) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL13413479 0.80 MAPT (0.58) MAPTCYP1A2CYP3A4CYP2C9CYP2C19

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