SCHEMBL28066752

SCHEMBL28066752

C=C(C)C(=O)OC(CC)C(CC)OP(=O)(O)O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.35
ALDH1A1 P00352 2/20 0.33
THRB P10828 1/20 0.33
PTPN1 P18031 1/20 0.33
SMPD1 P17405 3/20 0.33
MMP1 P03956 2/20 0.32
MMP2 P08253 2/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
MMP8 P22894 1/20 0.32
CA9 Q16790 1/20 0.32
LAP3 P28838 1/20 0.31
MMP3 P08254 1/20 0.31

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
SCHEMBL26105732 0.87 TSHR (0.37) TSHRALDH1A1THRBPTPN1SMPD1
SCHEMBL2019664 0.81 SMPD1 (0.41) TSHRALDH1A1THRBSMPD1LAP3
SCHEMBL28240308 0.79 SMPD1 (0.40) TSHRALDH1A1THRBSMPD1LAP3
SCHEMBL18769166 0.79 SMPD1 (0.45) PTPN1SMPD1MMP1MMP2CA12
SCHEMBL22231053 0.78 TSHR (0.44) TSHRALDH1A1THRB
SCHEMBL26104283 0.78 SMPD1 (0.36) TSHRALDH1A1THRBPTPN1SMPD1
SCHEMBL22231283 0.76 TSHR (0.45) TSHRALDH1A1THRB
SCHEMBL22231110 0.76 TSHR (0.41) TSHRALDH1A1THRB
SCHEMBL27858353 0.76 TSHR (0.41) TSHRALDH1A1THRB
SCHEMBL26106647 0.76 PGD (0.42) TSHR

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
CN-105601826-A Method for preparing viscosity reduction type water reduction agent JIANGSU SUBOTE NEW MAT CO LTD 2016-05-25 CN claimed