SCHEMBL2031071

SCHEMBL2031071

O=C(O)C12CC3OC3CC1(C(=O)O)O2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.38
MAPK1 P28482 2/20 0.38
TP53 P04637 2/20 0.38
NFKB1 P19838 2/20 0.38
THPO P40225 2/20 0.38
GMNN O75496 2/20 0.38
LMNA P02545 2/20 0.38
PMP22 Q01453 2/20 0.38
STAT6 P42226 1/20 0.38
HIF1A Q16665 1/20 0.38
NPC1 O15118 1/20 0.38
MTOR P42345 1/20 0.38
RAB9A P51151 1/20 0.38
BLM P54132 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 2/20 0.37
TFPI2 P48307 1/20 0.37
TSHR P16473 1/20 0.37
GRM4 Q14833 4/20 0.30

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
SCHEMBL22973673 0.70 LMNA (0.48) CYP2C19MAPK1TP53NFKB1THPO
SCHEMBL27993146 0.65 LMNA (0.39) CYP2C19MAPK1TP53NFKB1THPO
SCHEMBL9656017 0.65 LMNA (0.39) CYP2C19MAPK1TP53NFKB1THPO
SCHEMBL4601279 0.65 MAPK1 (0.39) CYP2C19MAPK1TP53NFKB1THPO
SCHEMBL11866220 0.65 MAPK1 (0.39) CYP2C19MAPK1TP53NFKB1THPO
SCHEMBL181588 0.65 CYP2C19 (0.37) CYP2C19LMNABLMSMN1; SMN2NPSR1
SCHEMBL11418133 0.65 CYP2C19 (0.37) CYP2C19LMNABLMSMN1; SMN2NPSR1
SCHEMBL11859679 0.64 LMNA (0.42) CYP2C19MAPK1TP53NFKB1THPO
SCHEMBL1547983 0.63 MAPK1 (0.45) CYP2C19MAPK1TP53NFKB1THPO
SCHEMBL1648858 0.63 LMNA (0.36) CYP2C19MAPK1TP53NFKB1THPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011071674-A1 ASYMMETRIC CYCLIC DIESTER COMPOUNDS FERRO CORPORATION (US) 2011-06-16 WO disclosed
EP-0089802-B2 PHOTOPOLYMERIZABLE COMPOSITIONS AND IMAGE-FORMING MATERIALS USING SAID COMPOSITIONS KONICA CORPORATION (JP) 1991-11-13 EP disclosed
EP-0089802-B1 PHOTOPOLYMERIZABLE COMPOSITIONS AND IMAGE-FORMING MATERIALS USING SAID COMPOSITIONS KONICA CORPORATION (JP) 1986-09-24 EP disclosed
US-4542088-A ETHYLENIC UNSATURATED COMPOUND AND LATEX GRANULAR DISPERSION KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1985-09-17 US disclosed
EP-0089802-A1 Photopolymerizable compositions and image-forming materials using said compositions KONICA CORPORATION (JP) 1983-09-28 EP disclosed