SCHEMBL9130766

SCHEMBL9130766

C=CCN(C)[C@](C)([CH]OC(=O)C=Cc1ccc(Cl)cc1)Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.38
GPR183 P32249 3/20 0.36
KDM4E B2RXH2 2/20 0.35
LMNA P02545 3/20 0.34
ALDH1A1 P00352 2/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HPGD P15428 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.33
GAA P10253 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
TBXA2R P21731 1/20 0.33
PTGER1 P34995 1/20 0.33
PTGER4 P35408 1/20 0.33
PTGFR P43088 1/20 0.33
PTGER3 P43115 1/20 0.33
PTGER2 P43116 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
SCHEMBL9127371 0.93 TBXA2R (0.39) MMP1LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL9132894 0.84 TSHR (0.36) ALDH1A1MAPTHTT
SCHEMBL9130770 0.83 KDM4E (0.39) MMP1GPR183KDM4ELMNAALDH1A1
SCHEMBL9131147 0.83 TSHR (0.36) LMNASMN1; SMN2
SCHEMBL9130072 0.80 LMNA (0.37) LMNASMN1; SMN2HPGDGAAMAOA
SCHEMBL9130557 0.79 PDPK1 (0.40) LMNAALDH1A1MAPTHTTRAB9A
SCHEMBL9130212 0.79 PDPK1 (0.40) LMNAALDH1A1MAPTHTTRAB9A
SCHEMBL9131463 0.78 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2TBXA2RPTGER1PTGER4
SCHEMBL9133623 0.77 ALDH1A1 (0.38) KDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL9131126 0.77 KDM4E (0.39) KDM4ELMNAALDH1A1MAPTSMN1; SMN2

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