SCHEMBL9124136

SCHEMBL9124136

CCCCOC(=O)c1c(C(=O)O)[nH]c2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.58
TSHR P16473 6/20 0.58
ALDH1A1 P00352 5/20 0.58
LMNA P02545 2/20 0.54
MAPK1 P28482 1/20 0.54
MAPT P10636 2/20 0.54
HPGD P15428 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
MCL1 Q07820 6/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HSD17B10 Q99714 4/20 0.49
GAA P10253 2/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
NPSR1 Q6W5P4 1/20 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
SCHEMBL27528293 0.86 TUBB4A (0.60) KDM4ETSHRALDH1A1LMNAMAPT
SCHEMBL9863260 0.83 KDM4E (0.59) KDM4ETSHRALDH1A1LMNAMAPK1
SCHEMBL4120335 0.81 ALDH1A1 (0.57) KDM4ETSHRALDH1A1LMNAMAPK1
SCHEMBL13758171 0.80 KDM4E (0.60) KDM4ETSHRALDH1A1LMNAMAPK1
SCHEMBL9370956 0.80 KDM4E (0.60) KDM4ETSHRALDH1A1LMNAMAPK1
SCHEMBL7869164 0.80 ALDH1A1 (0.56) KDM4ETSHRALDH1A1LMNAMAPK1
SCHEMBL8528482 0.79 NR4A2 (0.67) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL31486077 0.78 ALDH1A1 (0.57) KDM4ETSHRALDH1A1LMNAMAPK1
SCHEMBL3276393 0.77 TUBB4A (0.67) KDM4ETSHRALDH1A1MAPTHPGD
SCHEMBL15512501 0.77 OXER1 (0.62) KDM4EALDH1A1MAPTHPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5380736-A Cholecystokinin and gastric antagonist ELF SANOFI (FR) 1995-01-10 US disclosed
US-5314889-A Hormone antagonists ELF SANOFI (FR) 1994-05-24 US disclosed