SCHEMBL22600499

SCHEMBL22600499

C=CCOc1ccc(-c2ccc(OC(=O)C(=C)C)c(F)c2)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAOB P27338 3/20 0.39
ERN1 O75460 1/20 0.36
TSHR P16473 2/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
KAT6A Q92794 1/20 0.36
CTSA P10619 1/20 0.36
ALOX5 P09917 1/20 0.35
GAA P10253 4/20 0.35
MGAM O43451 3/20 0.35
SI P14410 3/20 0.35
MGAM2 Q2M2H8 3/20 0.35
MAOA P21397 2/20 0.35
ALDH2 P05091 1/20 0.35
FFAR1 O14842 3/20 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
SCHEMBL25021709 0.86 MEN1 (0.40) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL20112831 0.86 MAPT (0.42) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL1098577 0.86 ELANE (0.40) KMT2AERN1CTSAFFAR4
SCHEMBL26144157 0.86 ELANE (0.40) KMT2AERN1CTSAFFAR4
SCHEMBL22600458 0.85 ERN1 (0.36) ERN1CTSAALOX5FFAR4
SCHEMBL12196854 0.83 ERN1 (0.45) SMN1; SMN2ERN1CTSAFFAR1
SCHEMBL22600457 0.83 ELANE (0.35) KMT2AERN1CTSAALOX5FFAR4
SCHEMBL26144158 0.83 AKR1C3 (0.39) MEN1LMNAKMT2AERN1
SCHEMBL18869473 0.83 ERN1 (0.38) KMT2AERN1CTSAFFAR4
SCHEMBL18522511 0.83 APP (0.37) ERN1CTSAFFAR4

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