SCHEMBL2847713

SCHEMBL2847713

CCC(C(=O)OC)c1cccc(O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.46
HIF1A Q16665 3/20 0.46
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
GALR3 O60755 1/20 0.46
KDM4E B2RXH2 2/20 0.45
ADRB2 P07550 1/20 0.45
ADRB1 P08588 1/20 0.45
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
ADRB3 P13945 1/20 0.45
TSHR P16473 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
NFKB1 P19838 1/20 0.45
DRD1 P21728 1/20 0.45
HTR7 P34969 1/20 0.45
ADRA1A P35348 1/20 0.45
ADRA1B P35368 1/20 0.45
DRD3 P35462 1/20 0.45

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
SCHEMBL7805408 0.88 HIF1A (0.44) LMNAHIF1AESR1ESR2GALR3
SCHEMBL11078764 0.87 GAA (0.44) LMNAHIF1AGALR3KDM4EADRB1
SCHEMBL28140070 0.86 SLC22A1 (0.42) LMNAHIF1AGALR3KDM4EADRB2
SCHEMBL2848810 0.84 ESR1 (0.44) LMNAHIF1AESR1ESR2GALR3
SCHEMBL2848191 0.83 ESR1 (0.43) LMNAHIF1AESR1ESR2GALR3
SCHEMBL2861717 0.83 ESR1 (0.47) LMNAESR1ESR2KDM4EGAA
SCHEMBL31478057 0.83 CPN1 (0.53) LMNAKDM4EADRB2ADRB1ADRB3
SCHEMBL28577126 0.83 KDM4E (0.60) KDM4ETDP1
SCHEMBL7112200 0.83 ALDH1A1 (0.49) LMNAKDM4EGAAKMT2APKM
SCHEMBL10421105 0.82 PTGS1 (0.56) LMNAHIF1AESR1ESR2KDM4E

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
WO-2010138901-A1 CARBOXYLIC ACID-CONTAINING COMPOUNDS, DERIVATIVES THEREOF, AND RELATED METHODS OF USE BIOGEN IDEC MA INC (US) 2010-12-02 WO disclosed
WO-2010138901-A1 CARBOXYLIC ACID-CONTAINING COMPOUNDS, DERIVATIVES THEREOF, AND RELATED METHODS OF USE BIOGEN IDEC MA INC (US) 2010-12-02 WO disclosed