SCHEMBL6862384

SCHEMBL6862384

COC(=O)C[C@@H](O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.51
KMT2A Q03164 1/20 0.50
LMNA P02545 1/20 0.50
ALDH1A1 P00352 1/20 0.49
BCAT2 O15382 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
AOC3 Q16853 3/20 0.46

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
SCHEMBL3978916 1.00 KCNA5 (0.51) KCNA5KMT2ALMNAALDH1A1BCAT2
SCHEMBL6910158 1.00 KCNA5 (0.51) KCNA5KMT2ALMNAALDH1A1BCAT2
SCHEMBL22076559 0.90 PTGS2 (0.47) KCNA5KMT2ALMNAALDH1A1KDM4E
SCHEMBL3834711 0.87 KMT2A (0.46) KCNA5KMT2ALMNAALDH1A1BCAT2
SCHEMBL9420589 0.86 KCNA5 (0.47) KCNA5KMT2ALMNAALDH1A1BCAT2
SCHEMBL2347309 0.84 HPGD (0.57) KCNA5KMT2ALMNAALDH1A1HPGD
SCHEMBL4486192 0.83 TAAR1 (0.52) LMNAALDH1A1KDM4ERAB9ASMN1; SMN2
SCHEMBL28827835 0.83 MAPT (0.47) LMNAALDH1A1L3MBTL1RAB9ASMN1; SMN2
SCHEMBL4484678 0.83 TAAR1 (0.52) LMNAALDH1A1KDM4ERAB9ASMN1; SMN2
SCHEMBL14042112 0.83 TAAR1 (0.52) LMNAALDH1A1KDM4ERAB9ASMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118108598-B Method for synthesizing chiral beta-hydroxy carboxylic ester by catalysis of ruthenium complex 中国科学院大连化学物理研究所 2025-05-27 CN disclosed
CN-118108598-A Method for synthesizing chiral beta-hydroxy carboxylic ester by catalysis of ruthenium complex 中国科学院大连化学物理研究所 2024-05-31 CN disclosed
US-9938267-B2 Heterocyclic inhibitors of glutaminase CALITHERA BIOSCIENCES, INC. (US) 2018-04-10 US disclosed
CN-107827929-A A kind of biaryl biphosphine ligand, its preparation method and application 中国科学院上海有机化学研究所 2018-03-23 CN disclosed
WO-2011001373-A1 PROCESS FOR THE PREPARATION OF AN ENANTIOMERICALLY PURE TRISUBSTITUTED 1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVE ACTELION PHARMACEUTICALS LTD (CH) 2011-01-06 WO disclosed