SCHEMBL21733189

SCHEMBL21733189

CC(COCCOC(=O)c1ccccc1)OC(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.54
TDP1 Q9NUW8 1/20 0.53
ALDH1A1 P00352 1/20 0.50
ADRB2 P07550 1/20 0.48
ADRB1 P08588 1/20 0.48
ADRB3 P13945 1/20 0.48
PKM P14618 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
POLB P06746 1/20 0.47
SCN1A P35498 1/20 0.47
SCN2A Q99250 1/20 0.47
SCN3A Q9NY46 1/20 0.47
NPC1 O15118 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TSHR P16473 2/20 0.45
TP53 P04637 1/20 0.45
PRKCA P17252 1/20 0.45
ESR1 P03372 1/20 0.44
ESR2 Q92731 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
SCHEMBL6746732 0.92 LMNA (0.50) LMNATDP1ALDH1A1ADRB2ADRB1
SCHEMBL21733279 0.91 TDP1 (0.58) LMNATDP1ALDH1A1ADRB2ADRB1
SCHEMBL16876662 0.91 LMNA (0.57) LMNATDP1ALDH1A1ADRB2ADRB1
SCHEMBL16044978 0.88 LMNA (0.48) LMNATDP1ALDH1A1ADRB2ADRB1
SCHEMBL1255193 0.87 LMNA (0.54) LMNATDP1ALDH1A1ADRB2ADRB1
SCHEMBL11077363 0.86 LMNA (0.56) LMNATDP1ALDH1A1ADRB2ADRB1
SCHEMBL2697594 0.86 LMNA (0.59) LMNATDP1ALDH1A1ADRB2ADRB1
SCHEMBL227395 0.85 ALDH1A1 (0.62) LMNATDP1ALDH1A1ADRB2ADRB1
SCHEMBL16019900 0.85 ALDH1A1 (0.62) LMNATDP1ALDH1A1ADRB2ADRB1
SCHEMBL14677535 0.85 LMNA (0.51) LMNATDP1ALDH1A1ADRB2ADRB1

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-20200054933-A1 MAINTENANCE METHOD OF BOWLING BALL, PLASTICIZER YAMADA YUTAKA (JP) 2020-02-20 US disclosed