SCHEMBL4344252

SCHEMBL4344252

O=S(=O)(OCCC(CO)(CO)CO)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARL Q9H300 1/20 0.39
ALDH1A1 P00352 6/20 0.36
TDP1 Q9NUW8 2/20 0.36
HSD17B10 Q99714 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 2/20 0.35
PTGS2 P35354 1/20 0.35
HTR6 P50406 1/20 0.34
PSIP1 O75475 1/20 0.34
KDM4E B2RXH2 2/20 0.34
KMT2A Q03164 2/20 0.34
HSD11B1 P28845 1/20 0.34
HPGD P15428 1/20 0.34
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 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
SCHEMBL28528949 0.83 CA1 (0.43) ALDH1A1KMT2ACA1CA2MMP1
SCHEMBL3448669 0.82 PARL (0.41) PARLALDH1A1TDP1HSD17B10TSHR
SCHEMBL1954965 0.82 PARL (0.41) PARLALDH1A1TDP1HSD17B10TSHR
SCHEMBL3446801 0.82 PARL (0.41) PARLALDH1A1TDP1HSD17B10TSHR
SCHEMBL30555660 0.80 PARL (0.44) PARLALDH1A1TDP1HSD17B10TSHR
SCHEMBL3447513 0.80 PARL (0.44) PARLALDH1A1TDP1HSD17B10TSHR
SCHEMBL3449015 0.79 PARL (0.50) PARLALDH1A1TDP1HSD17B10TSHR
SCHEMBL4142301 0.79 PTGS2 (0.42) PARLALDH1A1TDP1HSD17B10MAPT
SCHEMBL10866994 0.78 PARL (0.43) PARLALDH1A1TDP1HSD17B10TSHR
SCHEMBL28496864 0.78 PARL (0.43) PARLALDH1A1TDP1HSD17B10TSHR

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
CN-112334509-A Transesterification process for the simultaneous production of at least two different types of polycarbonate in a production plant 科思创知识产权两合公司 2021-02-05 CN disclosed
US-20090117314-A1 PROCESS FOR THE PREPARATION OF POLYCARBONATE BY THE MELT TRANSESTERIFICATION METHOD BAYER MATERIALSCIENCE AG (DE) 2009-05-07 US disclosed