SCHEMBL8771013

SCHEMBL8771013

CCC(C(=O)O)C(O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.41
GRN P28799 6/20 0.39
SORT1 Q99523 6/20 0.39
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36
APP P05067 1/20 0.35
LMNA P02545 1/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
TACR1 P25103 2/20 0.34
AKR1B10 O60218 1/20 0.33
AKR1C4 P17516 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
AKR1C1 Q04828 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CNR2 P34972 1/20 0.33

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
Hydrochloric Acid SCHEMBL6779507 0.79 TPMT (0.38) TPMTGRNSORT1MEN1KMT2A
SCHEMBL28610276 0.76 AKR1C3 (0.46) TPMTGRNSORT1MEN1KMT2A
SCHEMBL687445 0.76 LMNA (0.52) MEN1KMT2AMAPTLMNAKDM4E
SCHEMBL295743 0.76 LMNA (0.52) MEN1KMT2AMAPTLMNAKDM4E
SCHEMBL7056950 0.76 LMNA (0.52) MEN1KMT2AMAPTLMNAKDM4E
SCHEMBL5163504 0.72 AKR1C3 (0.45) MEN1KMT2AMAPTLMNAAKR1C3
SCHEMBL20868405 0.72 LMNA (0.50) GRNSORT1MEN1KMT2AMAPT
SCHEMBL20868524 0.72 LMNA (0.50) GRNSORT1MEN1KMT2AMAPT
SCHEMBL5929629 0.71 LMNA (0.42) MEN1KMT2AMAPTLMNAAKR1C3
SCHEMBL5162907 0.71 LMNA (0.42) MEN1KMT2AMAPTLMNAAKR1C3

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
EP-0451668-B1 Process for the production of optically active alkyl 3-aryl-3-hydroxypropionates CHISSO CORP (JP) 1997-08-13 EP disclosed