SCHEMBL8433233

SCHEMBL8433233

CCC(O)Oc1ccc(Sc2ccc(OC(O)CC)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
THRB P10828 1/20 0.39
HPGD P15428 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
GAA P10253 1/20 0.38
PTGIR P43119 4/20 0.37
TSHR P16473 1/20 0.36
NR1H2 P55055 1/20 0.34
STS P08842 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
SLC6A4 P31645 1/20 0.33
MAPT P10636 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 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
SCHEMBL11303015 0.87 TSHR (0.46) LMNASMN1; SMN2TSHRMAPTKMT2A
SCHEMBL24201318 0.86 TSHR (0.34) LMNASMN1; SMN2THRBHPGDNPSR1
SCHEMBL8674766 0.81 MAPT (0.44) GAATSHRMAPTCYP2C9CYP2C19
SCHEMBL31027992 0.79 CA12 (0.48) LMNAKMT2AALDH1A1
SCHEMBL10359315 0.79 ACHE (0.41) LMNASMN1; SMN2NPSR1TSHRL3MBTL1
SCHEMBL11371209 0.79 LTA4H (0.47) LMNATSHRMAPTMEN1KMT2A
SCHEMBL4258180 0.78 ALDH1A1 (0.43) SMN1; SMN2HPGDNPSR1TSHRL3MBTL1
SCHEMBL10359293 0.78 PPARA (0.43) NPSR1GAATSHRSLC6A4CYP2C9
SCHEMBL6903667 0.78 TSHR (0.37) LMNASMN1; SMN2TSHRMAPTKMT2A
SCHEMBL890769 0.77 LMNA (0.42) LMNASMN1; SMN2THRBHPGDNPSR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5955206-A POLYTHIOETHERS AND ACRYLATE OR VINYL GROUPS FOR CURING TO FORM OPTICAL LENSES MITSUI CHEMICALS, INC. (JP) 1999-09-21 US disclosed
US-5736609-A A POLYTHIO COMPOUND CONTAINING AT LEAST TWO MERCAPTO GROUPS, A POLYISO(THIO)CYANATE COMPOUND, AND A COMPOUND HAVING TWO OR MORE UNSATURATED REACTIVE GROUPS MITSUI TOATSU CHEMICALS, INC. (JP) 1998-04-07 US disclosed
EP-0742244-A2 Durable polysulfide composition for optical material MITSUI TOATSU CHEMICALS, INC. (JP) 1996-11-13 EP disclosed