SCHEMBL30999728

SCHEMBL30999728

COC(=O)c1occc1C=O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
ERN1 O75460 5/20 0.41
KDM4E B2RXH2 2/20 0.39
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
KMT2A Q03164 2/20 0.36
POLB P06746 2/20 0.36
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.35
MAPT P10636 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
SCHEMBL8853712 0.81 RAB9A (0.44) ALDH1A1KDM4EKMT2APOLBMEN1
SCHEMBL434839 0.79 KDM4E (0.37) ALDH1A1KDM4EKMT2ATSHRMAPT
SCHEMBL9510452 0.78 KDM4E (0.38) ALDH1A1KDM4EKMT2AMEN1TSHR
SCHEMBL4641229 0.76 KMT2A (0.40) ALDH1A1ERN1KDM4EKMT2APOLB
SCHEMBL43076 0.75 KDM4E (0.53) ALDH1A1KDM4EKMT2AMEN1TSHR
SCHEMBL21223078 0.75 ALDH1A1 (0.35) ALDH1A1ERN1KDM4EKMT2AMEN1
SCHEMBL69723 0.75 HSD17B10 (0.44) ALDH1A1KDM4EKMT2APOLBMEN1
SCHEMBL22068300 0.73 CHRNA4 (0.48) ALDH1A1KDM4EPOLBTSHRMAPT
SCHEMBL2417181 0.73 CHRNB2 (0.41) ALDH1A1KDM4EKMT2ATSHRMAPT
SCHEMBL31310778 0.73 HSD17B10 (0.43) ALDH1A1KDM4EKMT2APOLBMEN1

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
CN-114364662-B Efficient process for producing 5- (alkoxycarbonyl) -furan-2-carboxylic acid 伊士曼化工公司 2024-07-12 CN disclosed