SCHEMBL6254551

SCHEMBL6254551

O=C(O)CC(CC(=O)NOC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
KCNH2 Q12809 1/20 0.50
CPA1 P15085 2/20 0.45
CPB1 P15086 1/20 0.45
CPA3 P15088 1/20 0.45
CPB2 Q96IY4 1/20 0.45
TSHR P16473 1/20 0.40
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LTA4H P09960 2/20 0.37
FDFT1 P37268 2/20 0.37
SLC15A1 P46059 1/20 0.36
KIF11 P52732 3/20 0.36
GRM2 Q14416 1/20 0.36
GRM3 Q14832 1/20 0.36
FOLH1 Q04609 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL4837207 0.84 CYP3A4 (0.44) CYP3A4CYP2C9KCNH2TSHRSLC15A1
SCHEMBL14193602 0.83 CYP3A4 (0.46) CYP3A4CYP2C9KCNH2TSHRLTA4H
SCHEMBL5318616 0.79 KCNH2 (0.52) CYP3A4CYP2C9KCNH2TSHRKDM4E
SCHEMBL6253965 0.78 MMEL1 (0.51)
SCHEMBL14564239 0.76 CYP3A4 (0.64) CYP3A4CYP2C9KCNH2KDM4EKIF11
SCHEMBL19474711 0.76 CYP3A4 (0.59) CYP3A4CYP2C9KCNH2LTA4HKIF11
SCHEMBL4837398 0.74 KMT2A (0.44) CYP3A4CYP2C9KCNH2KIF11
SCHEMBL4835594 0.73 CYP3A4 (0.47) CYP3A4CYP2C9KCNH2TSHRKDM4E
SCHEMBL15797920 0.73 CYP3A4 (0.76) CYP3A4CYP2C9KCNH2TSHRALDH1A1
Tricarballylic Acid SCHEMBL29098246 0.69 CPA1 (0.60) CPA1CPB1CPA3CPB2TSHR

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
EP-1572645-A2 DERIVATIVES OF SUCCINIC AND GLUTARIC ACIDS AND ANALOGS THEREOF USEFUL AS INHIBITORS OF PHEX Enobia Pharma Inc. (CA) 2005-09-14 EP disclosed
WO-2004050620-A2 DERIVATIVES OF SUCCINIC AND GLUTARIC ACIDS AND ANALOGS THEREOF USEFUL AS INHIBITORS OF PHEX ENOBIA PHARMA (CA) 2004-06-17 WO disclosed