SCHEMBL9602518

SCHEMBL9602518

CCOCC(C[S])OCC

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.35
LMNA P02545 1/20 0.33
LPAR1 Q92633 2/20 0.31
LPAR3 Q9UBY5 2/20 0.31
LPAR2 Q9HBW0 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL208312 0.84 THRB (0.42) THRBLMNALPAR1LPAR3LPAR2
SCHEMBL11955576 0.81 THRB (0.40) THRBLMNA
SCHEMBL10023016 0.81 THRB (0.40) THRBLMNA
SCHEMBL22697254 0.80 THRB (0.35) THRBLMNA
SCHEMBL242883 0.79 THRB (0.38) THRBLMNA
SCHEMBL13524899 0.78 ALDH1A1 (0.35) THRBLMNALPAR1LPAR3LPAR2
Water SCHEMBL4365142 0.77 THRB (0.36) THRBLMNA
SCHEMBL5933497 0.76
SCHEMBL14814574 0.75 THRB (0.35) THRBLMNA
SCHEMBL29017451 0.75 ALDH1A1 (0.36) THRBLMNAALDH1A1

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
EP-0313943-B1 1,2-NAPHTALOCYANINE NEAR-INFRARED ABSORBENT AND RECORDING/DISPLAY MATERIALS USING SAME MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-08-04 EP disclosed
US-4960538-A LIGHT, WEATHER, THERMAL RESISTANCE MITSUI TOATSU CHEMICALS, INC (JP) 1990-10-02 US disclosed
EP-0313943-A2 1,2-naphtalocyanine near-infrared absorbent and recording/display materials using same MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-05-03 EP disclosed