SCHEMBL7867239

SCHEMBL7867239

CCCCCC(CO)COC(=O)c1ccc(C(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
LMNA P02545 3/20 0.55
CYP3A4 P08684 2/20 0.55
HSD17B10 Q99714 1/20 0.55
MAPT P10636 2/20 0.55
PRSS1 P07477 1/20 0.52
PRSS2 P07478 1/20 0.52
PRSS3 P35030 1/20 0.52
TSHR P16473 3/20 0.52
MAPK1 P28482 2/20 0.52
CA2 P00918 1/20 0.48
TP53 P04637 1/20 0.46
PLA2G4B P0C869 2/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ESR1 P03372 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
NR1H2 P55055 1/20 0.43

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
SCHEMBL20548569 0.90 ALDH1A1 (0.56) ALDH1A1LMNACYP3A4HSD17B10MAPT
Benzoic Acid SCHEMBL8017354 0.86 PRSS1 (0.63) ALDH1A1LMNACYP3A4HSD17B10MAPT
SCHEMBL108086 0.86 ALDH1A1 (0.73) ALDH1A1LMNACYP3A4HSD17B10MAPT
SCHEMBL2822334 0.85 PRSS1 (0.64) ALDH1A1LMNACYP3A4HSD17B10MAPT
Benzoic Acid SCHEMBL28210602 0.85 PRSS1 (0.58) ALDH1A1LMNACYP3A4HSD17B10MAPT
SCHEMBL3754816 0.84 ALDH1A1 (0.66) ALDH1A1LMNACYP3A4HSD17B10MAPT
SCHEMBL2919384 0.84 ALDH1A1 (0.62) ALDH1A1LMNACYP3A4HSD17B10MAPT
SCHEMBL16968147 0.83 TP53 (0.46) ALDH1A1LMNAMAPTTSHRTP53
SCHEMBL571011 0.82 PRSS1 (0.65) ALDH1A1LMNACYP3A4HSD17B10MAPT
SCHEMBL20924147 0.82 ALDH1A1 (0.77) ALDH1A1LMNACYP3A4HSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1112314-A1 FLAME RETARDANT RESIN COMPOSITIONS CONTAINING PHOSPHORAMIDES, AND METHOD FOR MAKING GENERAL ELECTRIC COMPANY (US) 2001-07-04 EP disclosed
WO-2000012614-A1 FLAME RETARDANT RESIN COMPOSITIONS CONTAINING PHOSPHORAMIDES, AND METHOD FOR MAKING GENERAL ELECTRIC COMPANY (US) 2000-03-09 WO disclosed
EP-0427115-A2 Compatibilized compositions of polyphenylene ether and polyester resins GENERAL ELECTRIC COMPANY (US) 1991-05-15 EP disclosed
EP-0344099-A2 A polyester and an article made of the same SEKISUI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1989-11-29 EP disclosed