SCHEMBL20334181

SCHEMBL20334181

CC(=O)c1cc2cc(OCCNC(C)C)ccc2o1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 10/20 0.48
TAS1R1 Q7RTX1 10/20 0.48
HPGD P15428 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
GLA P06280 1/20 0.48
GAA P10253 1/20 0.48
CASP1 P29466 1/20 0.48
BRCA1 P38398 1/20 0.48
CASP7 P55210 1/20 0.48
HSD17B10 Q99714 1/20 0.48
FLT3 P36888 1/20 0.47
ADRB2 P07550 1/20 0.47
CA4 P22748 2/20 0.45
TSHR P16473 1/20 0.44

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
SCHEMBL20233723 0.91 ADRB2 (0.48) HPGDSMN1; SMN2ADRB2CA4TSHR
SCHEMBL20133267 0.91 TAS1R3 (0.47) TAS1R3TAS1R1HPGDSMN1; SMN2LMNA
SCHEMBL18592286 0.89 TAS1R3 (0.50) TAS1R3TAS1R1HPGDSMN1; SMN2FLT3
SCHEMBL20235084 0.89 TAS1R3 (0.47) TAS1R3TAS1R1HPGDSMN1; SMN2LMNA
SCHEMBL15623151 0.86 LMNA (0.51) TAS1R3TAS1R1HPGDSMN1; SMN2LMNA
SCHEMBL20234807 0.86 ADRB2 (0.51) TAS1R3TAS1R1KDM4EALDH1A1ADRB2
SCHEMBL18592287 0.86 ADRB2 (0.51) TAS1R3TAS1R1KDM4EALDH1A1FLT3
SCHEMBL18611776 0.85 KDM4E (0.50) TAS1R3TAS1R1HPGDSMN1; SMN2LMNA
SCHEMBL11751622 0.82 ADRB2 (0.56) LMNAKDM4EGLAADRB2TSHR
SCHEMBL15623155 0.82 ALDH1A1 (0.55) TAS1R3TAS1R1HPGDSMN1; SMN2LMNA

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-2018140809-A1 MODULATORS OF ESTROGEN RECEPTOR PROTEOLYSIS AND ASSOCIATED METHODS OF USE Arvinas, Inc. (US) 2018-08-02 WO disclosed
WO-2018119357-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ENHANCER OF ZESTE HOMOLOG 2 POLYPEPTIDE Arvinas, Inc. (US) 2018-06-28 WO disclosed