SCHEMBL3448669

SCHEMBL3448669

O=S(=O)(OCC(CO)(CO)CO)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARL Q9H300 1/20 0.41
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 2/20 0.37
HTR6 P50406 1/20 0.37
PSIP1 O75475 1/20 0.36
ALDH1A1 P00352 4/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HSD11B1 P28845 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.36
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
MMP13 P45452 1/20 0.35

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
SCHEMBL1954965 0.96 PARL (0.41) PARLTSHRSMN1; SMN2TDP1HTR6
SCHEMBL3446801 0.96 PARL (0.41) PARLTSHRSMN1; SMN2TDP1HTR6
SCHEMBL477100 0.90 PSIP1 (0.40) PARLTSHRSMN1; SMN2PSIP1ALDH1A1
SCHEMBL3447228 0.90 PSIP1 (0.40) PARLTSHRSMN1; SMN2PSIP1ALDH1A1
SCHEMBL5109012 0.90 TSHR (0.52) PARLTSHRSMN1; SMN2TDP1ALDH1A1
SCHEMBL11081117 0.89 PARL (0.36) PARLTSHRSMN1; SMN2TDP1HTR6
SCHEMBL2058282 0.88 PARL (0.46) PARLTSHRSMN1; SMN2TDP1HTR6
SCHEMBL3448335 0.84 HSD11B1 (0.42) PARLTSHRSMN1; SMN2TDP1HTR6
SCHEMBL476998 0.83 PSIP1 (0.47) PARLTSHRSMN1; SMN2TDP1HTR6
SCHEMBL4344252 0.82 PARL (0.39) PARLTSHRSMN1; SMN2TDP1HTR6

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-7814626-B2 Process for the preparation of polycarbonate by the melt transesterification process BAYER MATERIALSCIENCE AG (DE) 2010-10-19 US disclosed
US-20080319156-A1 Process For The Preparation Of Polycarbonate By The Melt Transesterification Process BAYER MATERIALSCIENCE AG (DE) 2008-12-25 US disclosed