SCHEMBL28875951

SCHEMBL28875951

CCC(C)OC(=O)CC(=O)O.[MgH2]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
FAAH O00519 4/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
EPHX2 P34913 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA13 Q8N1Q1 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
LDHA P00338 1/20 0.33
SRR Q9GZT4 1/20 0.33
MME P08473 2/20 0.32

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
SCHEMBL151702 0.98 FAAH (0.40) MAPTFAAHCNR1CNR2EPHX2
Ethane SCHEMBL15437842 0.96 FAAH (0.39) MAPTFAAHCNR1CNR2EPHX2
Methane SCHEMBL15437870 0.96 FAAH (0.39) MAPTFAAHCNR1CNR2EPHX2
SCHEMBL28314576 0.96 FAAH (0.39) MAPTFAAHCNR1CNR2EPHX2
Hydrochloric Acid SCHEMBL10612981 0.96 FAAH (0.39) MAPTFAAHCNR1CNR2EPHX2
SCHEMBL7027311 0.96 FAAH (0.39) MAPTFAAHCNR1CNR2EPHX2
Butane SCHEMBL15549607 0.94 FAAH (0.41) MAPTFAAHCNR1CNR2EPHX2
SCHEMBL155564 0.88 FAAH (0.44) MAPTFAAHCNR1CNR2EPHX2
SCHEMBL241530 0.86 FAAH (0.43) MAPTFAAHCNR1CNR2EPHX2
SCHEMBL11205973 0.82 CYP19A1 (0.38) MAPTFAAHCNR1CNR2LDHA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110172019-A The metal salt of malonic acid as the nucleating additive for crystalline thermoplastic 印度石油有限公司 2019-08-27 CN disclosed