SCHEMBL22600459

SCHEMBL22600459

C=CC(=O)Oc1ccc(-c2ccc(OC(=O)C(=C)C)c(F)c2F)cc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.40
ELANE P08246 1/20 0.39
KMT2A Q03164 2/20 0.36
ATM Q13315 1/20 0.36
BACE1 P56817 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
PDE6D O43924 1/20 0.34
TYMS P04818 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ALOX5 P09917 1/20 0.30
DGAT1 O75907 1/20 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
SCHEMBL22600456 0.97 ELANE (0.40) THRBELANEKMT2AATMBACE1
SCHEMBL22600469 0.93 ELANE (0.44) THRBELANEKMT2AATMBACE1
SCHEMBL9607785 0.91 ELANE (0.47) ELANEKMT2AATMBACE1ADORA3
SCHEMBL9607786 0.89 THRB (0.42) THRBBACE1ADORA3PDE6DTYMS
SCHEMBL22600378 0.88 TYMS (0.36) THRBELANEKMT2AATMTYMS
SCHEMBL14984531 0.87 ELANE (0.32) ELANEKMT2AATM
SCHEMBL14984525 0.87 THRB (0.34) THRBELANEKMT2AATMADORA3
SCHEMBL14984570 0.86 ELANE (0.36) ELANEKMT2AATMBACE1ADORA3
SCHEMBL22600374 0.86 ALOX5 (0.33) THRBTYMSALOX5
SCHEMBL22600373 0.86 ALOX5 (0.33) THRBTYMSALOX5

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-20200339884-A1 LIQUID CRYSTAL COMPOSITION AND USE THEREOF JIANGSU HECHENG DISPLAY TECHNOLOGY CO., LTD. (CN) 2020-10-29 US disclosed