SCHEMBL4763400

SCHEMBL4763400

O=C(O)CC(O)(CC(=O)Oc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 2/20 0.52
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 5/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
KDM4E B2RXH2 3/20 0.42
LMNA P02545 2/20 0.42
POLB P06746 2/20 0.42
APAF1 O14727 1/20 0.42
RECQL P46063 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MPO P05164 1/20 0.42
TSHR P16473 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
HIF1A Q16665 1/20 0.42
NR4A2 P43354 1/20 0.41
ADAM17 P78536 1/20 0.41
ALOX5 P09917 1/20 0.41
ALDH1A1 P00352 3/20 0.40

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
SCHEMBL8916401 0.81 HTR1A (0.37) SLC22A6MEN1KMT2AKDM4ELMNA
SCHEMBL3067702 0.80 GUSB (0.36) L3MBTL1
SCHEMBL27926133 0.80 NR4A2 (0.51) SMN1; SMN2LMNAL3MBTL1TSHRPMP22
Citric Acid SCHEMBL27926134 0.80 ADAM17 (0.56) MEN1KMT2AKDM4ELMNAPOLB
SCHEMBL28231180 0.80 SLC22A6 (0.63) SLC22A6SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL31181908 0.80 SLC22A6 (0.59) SLC22A6SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL9184658 0.79 MAPT (0.57) SMN1; SMN2MAPTMEN1KMT2AKDM4E
SCHEMBL6835665 0.77 SLC22A6 (0.68) SLC22A6SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL1714417 0.77 SLC22A6 (0.68) SLC22A6SMN1; SMN2MAPTMEN1KMT2A
Dl-Tryptophan SCHEMBL9184636 0.77 KMT2A (0.76) SMN1; SMN2MAPTMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106414376-A Process for obtaining optically active pirlindole enantiomers and salts thereof 特克尼梅德医疗技术股份公司 2017-02-15 CN claimed
CN-1922189-B Spirocyclic cyclohexane derivatives with affinity for the ORL1-receptor GRUENENTHAL GMBH 2010-06-16 CN claimed
CN-101693714-A spirocyclic cyclohexane derivatives GRUENENTHAL CHEMIE 2010-04-14 CN claimed
CN-100577664-C Spirocyclic cyclohexane derivatives GRUENENTHAL GMBH 2010-01-06 CN claimed
EP-1778680-B1 SPIROCYCLIC CYCLOHEXANE DERIVATIVES GRUENENTHAL GMBH (DE) 2008-10-08 EP claimed
CN-1922189-A Spirocyclic cyclohexane derivatives with affinity for the ORL1-receptor GRUENENTHAL GMBH (DE) 2007-02-28 CN claimed
CN-1735619-A spirocyclic cyclohexane derivatives GRUENENTHAL GMBH (DE) 2006-02-15 CN claimed
CN-1662538-A Arylalkyl indoles having sertonin receptor affinity useful as therapeutic agents, process for their preparation and pharmaceutical compositions containing them SUVEN PHARMACEUTICALS LTD (IN) 2005-08-31 CN claimed
CN-107949557-B 2-aryl-and 2-aralkyl-benzimidazoles as mIDH1 inhibitors 德国癌症研究公共权益基金会 2021-11-02 CN disclosed
CN-101693714-B Spirocyclic cyclohexane derivatives GRUENENTHAL GMBH 2013-05-29 CN disclosed
CN-1922189-B Spirocyclic cyclohexane derivatives with affinity for the ORL1-receptor GRUENENTHAL GMBH 2010-06-16 CN disclosed
CN-101693714-A spirocyclic cyclohexane derivatives GRUENENTHAL CHEMIE 2010-04-14 CN disclosed
CN-100577664-C Spirocyclic cyclohexane derivatives GRUENENTHAL GMBH 2010-01-06 CN disclosed
CN-1922189-A Spirocyclic cyclohexane derivatives with affinity for the ORL1-receptor GRUENENTHAL GMBH (DE) 2007-02-28 CN disclosed
CN-1735619-A spirocyclic cyclohexane derivatives GRUENENTHAL GMBH (DE) 2006-02-15 CN disclosed
CN-1662538-A Arylalkyl indoles having sertonin receptor affinity useful as therapeutic agents, process for their preparation and pharmaceutical compositions containing them SUVEN PHARMACEUTICALS LTD (IN) 2005-08-31 CN disclosed