SCHEMBL22600378

SCHEMBL22600378

C=CC(=O)Oc1ccc(-c2ccc(OC(=O)C(=C)C)c(F)c2F)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.36
THRB P10828 3/20 0.35
THRA P10827 1/20 0.35
ELANE P08246 1/20 0.34
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
EGFR P00533 2/20 0.31
SRD5A1 P18405 1/20 0.31

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
SCHEMBL9607892 0.89 ELANE (0.40) THRBELANEKMT2AATM
SCHEMBL9607890 0.89 TYMS (0.42) TYMSTHRBTHRAKMT2AEGFR
SCHEMBL22600379 0.89 ELANE (0.36) TYMSTHRBTHRAELANEKMT2A
SCHEMBL22600456 0.88 ELANE (0.40) TYMSTHRBTHRAELANEKMT2A
SCHEMBL22600377 0.88 THRB (0.35) TYMSTHRBELANEKMT2AATM
SCHEMBL22600459 0.88 THRB (0.40) TYMSTHRBELANEKMT2AATM
SCHEMBL22600373 0.87 ALOX5 (0.33) TYMSTHRBTHRAEGFR
SCHEMBL22600374 0.87 ALOX5 (0.33) TYMSTHRBTHRAEGFR
SCHEMBL17791487 0.86 EGFR (0.32) TYMSTHRBTHRAEGFR
SCHEMBL18869280 0.85 EGFR (0.38) TYMSTHRBTHRAKMT2AEGFR

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