SCHEMBL7718700

SCHEMBL7718700

CC(C)(C)OC(=O)C1C2C=CC(O2)C1OC(=O)c1cccc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LGALS9 O00182 2/20 0.43
LGALS1 P09382 2/20 0.43
LGALS3 P17931 2/20 0.43
LGALS7; LGALS7B P47929 2/20 0.43
LGALS8 O00214 1/20 0.43
ADRB2 P07550 2/20 0.37
ADRB1 P08588 2/20 0.37
ADRB3 P13945 2/20 0.37
KMT2A Q03164 4/20 0.36
POLB P06746 3/20 0.36
GAA P10253 1/20 0.36
BCHE P06276 1/20 0.36
MEN1 O00255 3/20 0.35
ATM Q13315 1/20 0.35
CDC25B P30305 1/20 0.35
NR4A1 P22736 1/20 0.35
NR4A2 P43354 1/20 0.35
NR4A3 Q92570 1/20 0.35
PTPN1 P18031 1/20 0.35
PLK1 P53350 1/20 0.35

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
SCHEMBL7715632 0.86 LGALS9 (0.45) LGALS9LGALS1LGALS3LGALS7; LGALS7BLGALS8
SCHEMBL7710799 0.83 LGALS9 (0.54) LGALS9LGALS1LGALS3LGALS7; LGALS7BLGALS8
SCHEMBL7716646 0.80 LGALS9 (0.49) LGALS9LGALS1LGALS3LGALS7; LGALS7BLGALS8
SCHEMBL7718513 0.74 PPM1B (0.30)
SCHEMBL974720 0.73 NR4A1 (0.53) ADRB2ADRB1ADRB3KMT2APOLB
SCHEMBL7718520 0.70 PPM1B (0.37) KMT2AGAAMEN1KDM4EALDH1A1
SCHEMBL8569390 0.68 LGALS9 (0.52) LGALS9LGALS1LGALS3LGALS7; LGALS7BLGALS8
SCHEMBL27105242 0.67 LGALS9 (0.50) LGALS9LGALS1LGALS3LGALS7; LGALS7BLGALS8
SCHEMBL7716683 0.67 BCHE (0.47) LGALS9LGALS1LGALS3LGALS7; LGALS7BLGALS8
SCHEMBL7715707 0.67

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
US-6372854-B1 POLYALKENAMERS USED AS PHOTORESISTS HAVING EXCELLENT OPTICAL ELECTRICAL PROPERTIES; HIGH RIGIDITY; HEAT RESISTANCE; ADHESION AND WEAR RESISTANCE; HYDROGENATION; ACIDOLYSIS MITSUI CHEMICALS, INC. (JP) 2002-04-16 US disclosed