SCHEMBL30912052

SCHEMBL30912052

O=C(O)[C@H](O)Cc1c[nH]c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 1.00
KDM4E B2RXH2 3/20 0.70
MAPT P10636 3/20 0.70
KMT2A Q03164 3/20 0.70
MEN1 O00255 2/20 0.70
POLB P06746 2/20 0.70
APAF1 O14727 1/20 0.70
RECQL P46063 1/20 0.70
L3MBTL1 Q9Y468 1/20 0.70
LMNA P02545 1/20 0.70
MPO P05164 1/20 0.70
TSHR P16473 1/20 0.70
BLM P54132 1/20 0.70
PMP22 Q01453 1/20 0.70
HIF1A Q16665 1/20 0.70
ALOX15 P16050 1/20 0.61
DNMT1 P26358 3/20 0.60
CYP2C19 P33261 1/20 0.59
DNMT3B Q9UBC3 1/20 0.59
PKM P14618 1/20 0.59

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
SCHEMBL1362995 1.00 SMN1; SMN2 (1.00) SMN1; SMN2KDM4EMAPTKMT2AMEN1
SCHEMBL29361050 1.00 SMN1; SMN2 (1.00) SMN1; SMN2KDM4EMAPTKMT2AMEN1
SCHEMBL29556806 1.00 SMN1; SMN2 (1.00) SMN1; SMN2KDM4EMAPTKMT2AMEN1
SCHEMBL891879 1.00 SMN1; SMN2 (1.00) SMN1; SMN2KDM4EMAPTKMT2AMEN1
SCHEMBL578606 1.00 SMN1; SMN2 (1.00) SMN1; SMN2KDM4EMAPTKMT2AMEN1
SCHEMBL30833074 0.89 SMN1; SMN2 (0.81) SMN1; SMN2KDM4EMAPTKMT2AMEN1
Cystine SCHEMBL30036693 0.87 SMN1; SMN2 (0.76) SMN1; SMN2KDM4EMAPTKMT2AMEN1
SCHEMBL4987528 0.87 SMN1; SMN2 (0.76) SMN1; SMN2KDM4EMAPTKMT2AMEN1
SCHEMBL9449541 0.87 SMN1; SMN2 (0.77) SMN1; SMN2KDM4EMAPTKMT2AMEN1
SCHEMBL29388323 0.86 SMN1; SMN2 (0.74) SMN1; SMN2KDM4EMAPTKMT2AMEN1

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-117945976-A Synthesis process of chiral indole-3-lactic acid 中国农业科学院饲料研究所 2024-04-30 CN claimed