SCHEMBL9129221

SCHEMBL9129221

C=CCN[C@](C)(COC(C)=O)Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 2/20 0.40
TACR1 P25103 1/20 0.39
TSHR P16473 2/20 0.39
FDPS P14324 1/20 0.36
HPGD P15428 4/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP1A2 P05177 1/20 0.34
MAPT P10636 2/20 0.34
GAA P10253 1/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.33
LMNA P02545 2/20 0.33
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NOTUM Q6P988 1/20 0.33
PDK1 Q15118 1/20 0.32

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
SCHEMBL9130916 0.86 TDP1 (0.45) MEN1KMT2ASMN1; SMN2MAPK1TSHR
SCHEMBL9133069 0.81 FDPS (0.39) MEN1KMT2ASMN1; SMN2TSHRFDPS
SCHEMBL9133067 0.81 FDPS (0.39) MEN1KMT2ASMN1; SMN2TSHRFDPS
SCHEMBL9129255 0.81 FDPS (0.39) MEN1KMT2ASMN1; SMN2TSHRFDPS
SCHEMBL9130200 0.81 ALDH1A1 (0.48) MEN1KMT2AHPGDCYP3A4CYP2C19
SCHEMBL9129216 0.79 TSHR (0.39) MEN1KMT2ASMN1; SMN2MAPK1TACR1
SCHEMBL9129210 0.79 TSHR (0.39) MEN1KMT2ASMN1; SMN2MAPK1TACR1
SCHEMBL9131152 0.76 TACR1 (0.36) MEN1KMT2ASMN1; SMN2MAPK1TACR1
Hydrochloric Acid SCHEMBL27753528 0.74 FDPS (0.39) MEN1KMT2ASMN1; SMN2TSHRFDPS
SCHEMBL9130906 0.70 MEN1 (0.39) MEN1KMT2ASMN1; SMN2MAPK1TSHR

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
US-5472970-A Allylaminoesters and their application in therapeutics INSTITUT DE RECHERCHE JOUVEINAL S.A. (FR) 1995-12-05 US disclosed