SCHEMBL20173352

SCHEMBL20173352

CCCCCCCCCCC(CCCCCCCC)COc1ccc(CCCCCN2C(=O)C3=C(c4ccc(-c5ccc(-c6ccc(-c7ccc(C)s7)s6)s5)s4)N(CCCCCc4ccc(OCC(CCCCCCCC)CCCCCCCCCC)cc4)C(=O)C3=C2C)cc1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.36
S1PR4 O95977 2/20 0.36
S1PR5 Q9H228 2/20 0.36
S1PR2 O95136 1/20 0.36
S1PR3 Q99500 1/20 0.36
PLA2G4A P47712 5/20 0.35
HRH3 Q9Y5N1 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
SCHEMBL20173360 0.95 S1PR1 (0.34) S1PR1S1PR4S1PR5S1PR2S1PR3
SCHEMBL20173348 0.91 S1PR1 (0.31) S1PR1S1PR4S1PR5S1PR2S1PR3
SCHEMBL20173347 0.91 S1PR1 (0.31) S1PR1S1PR4S1PR5S1PR2S1PR3
SCHEMBL20173363 0.87
SCHEMBL20279891 0.86 S1PR1 (0.32) S1PR1S1PR4S1PR5S1PR2S1PR3
SCHEMBL19758061 0.86 PTGS1 (0.33)
SCHEMBL20173397 0.85 S1PR1 (0.39) S1PR1S1PR4S1PR5S1PR2S1PR3
SCHEMBL20173387 0.85 S1PR1 (0.39) S1PR1S1PR4S1PR5S1PR2S1PR3
SCHEMBL19758029 0.85
SCHEMBL19758052 0.85

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-20180175300-A1 ORGANIC THIN FILM TRANSISTOR, METHOD OF MANUFACTURING ORGANIC THIN FILM TRANSISTOR, ORGANIC SEMICONDUCTOR COMPOSITION, ORGANIC SEMICONDUCTOR FILM, AND METHOD OF MANUFACTURING ORGANIC SEMICONDUCTOR FILM FUJIFILM CORPORATION (JP) 2018-06-21 US disclosed
US-20180175299-A1 ORGANIC THIN FILM TRANSISTOR, METHOD OF MANUFACTURING ORGANIC THIN FILM TRANSISTOR, ORGANIC SEMICONDUCTOR COMPOSITION, ORGANIC SEMICONDUCTOR FILM, AND METHOD OF MANUFACTURING ORGANIC SEMICONDUCTOR FILM FUJIFILM CORPORATION (JP) 2018-06-21 US disclosed
US-20180145259-A1 ORGANIC SEMICONDUCTOR ELEMENT, COMPOUND, ORGANIC SEMICONDUCTOR COMPOSITION, AND METHOD OF MANUFACTURING ORGANIC SEMICONDUCTOR FILM FUJIFILM CORPORATION (JP) 2018-05-24 US disclosed