SCHEMBL6436469

SCHEMBL6436469

CCCCCCCCCCCCCCCC(OC(=O)OC(CCCCCCCCCCCCCCC)c1ccccc1C(=O)OC)c1ccccc1C(=O)OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
TSHR P16473 4/20 0.44
LMNA P02545 2/20 0.44
PPARG P37231 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SLC37A4 O43826 1/20 0.43
CYP3A4 P08684 2/20 0.42
TP53 P04637 1/20 0.42
MAPK1 P28482 1/20 0.42
ALOX12 P18054 1/20 0.42
KMT2A Q03164 1/20 0.42
CA2 P00918 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL7200254 1.00 ALDH1A1 (0.49) ALDH1A1PRSS1PRSS2PRSS3TSHR
SCHEMBL7643422 1.00 ALDH1A1 (0.49) ALDH1A1PRSS1PRSS2PRSS3TSHR
SCHEMBL7643004 0.99 ALDH1A1 (0.47) ALDH1A1PRSS1PRSS2PRSS3TSHR
SCHEMBL6472205 0.95 CYP1A2 (0.45) ALDH1A1PRSS1PRSS2PRSS3TSHR
SCHEMBL6436479 0.91 ALDH1A1 (0.51) ALDH1A1PRSS1PRSS2PRSS3TSHR
SCHEMBL7639705 0.89 LMNA (0.44) ALDH1A1TSHRLMNACYP1A2CYP2C19
SCHEMBL7036470 0.88 PRSS1 (0.52) ALDH1A1PRSS1PRSS2PRSS3TSHR
SCHEMBL7644388 0.88 PRSS1 (0.52) ALDH1A1PRSS1PRSS2PRSS3TSHR
SCHEMBL6472214 0.85 ALDH1A1 (0.44) ALDH1A1PRSS1PRSS2PRSS3TSHR
SCHEMBL2655007 0.83 PPARG (0.56) ALDH1A1PRSS1PRSS2PRSS3TSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1191064-B1 AROMATIC POLYCARBONATE COMPOSITION TEIJIN LTD (JP) 2005-12-07 EP disclosed
US-6448365-B1 Aromatic polycarbonate composition TEIJIN LIMITED (JP) 2002-09-10 US disclosed
EP-1191064-A1 AROMATIC POLYCARBONATE COMPOSITION TEIJIN LIMITED (JP) 2002-03-27 EP disclosed