SCHEMBL6309846

SCHEMBL6309846

Cc1ccccc1C1OCC(=O)O1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.41
HTR2A P28223 1/20 0.41
HTR2B P41595 1/20 0.41
ALDH1A1 P00352 6/20 0.40
MAPT P10636 5/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
HPGD P15428 3/20 0.38
USP2 O75604 1/20 0.38
THRB P10828 1/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
PBRM1 Q86U86 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL28367251 0.81 MAPT (0.40) HTR2CHTR2AHTR2BALDH1A1MAPT
SCHEMBL11040954 0.76 BRD4 (0.41) HTR2CALDH1A1MAPTMEN1KMT2A
SCHEMBL8079031 0.73 MEN1 (0.45) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL8079036 0.73 MEN1 (0.45) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL8079034 0.73 MEN1 (0.45) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL6590588 0.72 HTR2C (0.44) HTR2CHTR2AHTR2BALDH1A1DDB1
SCHEMBL2533981 0.70 MAOB (0.38) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL3083610 0.69 HTR2C (0.42) HTR2CHTR2AHTR2BALDH1A1DDB1
SCHEMBL9849476 0.69 TSHR (0.45) HTR2CHTR2AHTR2BALDH1A1DDB1
SCHEMBL11318483 0.68 PBRM1 (0.39) HTR2CHTR2AHTR2BALDH1A1DDB1

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-6887700-B2 Process for the enzymatic preparation of enantiopure 1, 3-dioxolan-4-one and 1,3-oxathiolan-5-one derivatives Consortium für elektrochemische Industrie GmbH (DE) 2005-05-03 US disclosed