SCHEMBL27668352

SCHEMBL27668352

CC(C)COC(=O)c1ccc(C(=O)OCC(C)C)cc1.[BaH2]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.62
TSHR P16473 2/20 0.62
PLA2G1B P04054 1/20 0.59
ATG4B Q9Y4P1 1/20 0.59
MAPT P10636 1/20 0.58
ADRB2 P07550 7/20 0.51
ADRB1 P08588 7/20 0.51
ADRB3 P13945 7/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
HTT P42858 1/20 0.50
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
ESR1 P03372 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
ESR2 Q92731 1/20 0.48
CA14 Q9ULX7 1/20 0.48
ACHE P22303 1/20 0.47

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
SCHEMBL110051 0.98 ALDH1A1 (0.64) ALDH1A1TSHRPLA2G1BATG4BMAPT
SCHEMBL27668055 0.96 ALDH1A1 (0.62) ALDH1A1TSHRPLA2G1BATG4BMAPT
SCHEMBL27667934 0.96 ALDH1A1 (0.62) ALDH1A1TSHRPLA2G1BATG4BMAPT
SCHEMBL27668355 0.92 MAPT (0.70) ALDH1A1TSHRPLA2G1BATG4BMAPT
SCHEMBL5166149 0.90 TSHR (0.56) ALDH1A1TSHRPLA2G1BATG4BMAPT
SCHEMBL34633 0.90 ADRB2 (0.64) ALDH1A1TSHRPLA2G1BATG4BMAPT
SCHEMBL5167985 0.90 CA12 (0.63) ALDH1A1TSHRPLA2G1BATG4BMAPT
SCHEMBL6057162 0.90 ADRB2 (0.64) ALDH1A1TSHRPLA2G1BATG4BMAPT
SCHEMBL208053 0.90 MAPT (0.72) ALDH1A1TSHRPLA2G1BATG4BMAPT
SCHEMBL23630668 0.88 ALDH1A1 (0.55) ALDH1A1TSHRPLA2G1BATG4BMAPT

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
CN-100480327-C Aliphatic polyester resin composition, aliphatic polyester resin molded article, and method for producing aliphatic polyester resin molded article TAKEMOTO OIL & FAT CO LTD (JP) 2009-04-22 CN disclosed
CN-1910236-A Aliphatic polyester resin composition, aliphatic polyester resin molded article, and method for producing aliphatic polyester resin molded article TAKEMOTO OIL & FAT CO LTD (JP) 2007-02-07 CN disclosed