SCHEMBL17032003

SCHEMBL17032003

CCC(C)(C)C(=O)OCCOc1ccc(C(C)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.40
MAPK1 P28482 1/20 0.40
TP53 P04637 1/20 0.40
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
ACACB O00763 4/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
ACACA Q13085 1/20 0.38
ESR1 P03372 1/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
ELANE P08246 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL13706518 0.86 TDP1 (0.40) MEN1KMT2ATDP1SMN1; SMN2MAPK1
SCHEMBL15179706 0.84 CA1 (0.36) SMN1; SMN2ACACBACACAPPARGPPARD
SCHEMBL17039675 0.84 MEN1 (0.42) MEN1KMT2ATDP1SMN1; SMN2MAPK1
SCHEMBL29324089 0.82 LTA4H (0.47) MEN1KMT2ASMN1; SMN2MAPK1TSHR
SCHEMBL15179674 0.81 ELANE (0.54) SMN1; SMN2ALDH1A1TSHRESR1ELANE
SCHEMBL116844 0.81 THRB (0.51) MEN1KMT2ATDP1SMN1; SMN2MAPK1
SCHEMBL12716906 0.81 CHRNB2 (0.48) MEN1KMT2ASMN1; SMN2ALDH1A1PPARG
SCHEMBL14015406 0.79 PTPRC (0.49) MAPK1TP53TSHRPPARAGAA
SCHEMBL12793181 0.79 HDAC1 (0.50) SMN1; SMN2PPARA
SCHEMBL11991306 0.79 POLB (0.41) MEN1KMT2ATDP1MAPK1TP53

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-20150241779-A1 REAGENT FOR ENHANCING GENERATION OF CHEMICAL SPECIES OSAKA UNIVERSITY (JP) 2015-08-27 US disclosed
US-20150241779-A1 REAGENT FOR ENHANCING GENERATION OF CHEMICAL SPECIES OSAKA UNIVERSITY (JP) 2015-08-27 US disclosed