SCHEMBL9874522

SCHEMBL9874522

N#CCCCCCCCCCc1ccccc1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.44
KMT2A Q03164 1/20 0.42
ADRA2C P18825 1/20 0.42
LTB4R Q15722 1/20 0.40
KCNA5 P22460 1/20 0.40
KCNH2 Q12809 1/20 0.40
PPARA Q07869 1/20 0.38
CYSLTR2 Q9NS75 1/20 0.37
CYSLTR1 Q9Y271 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
FOLH1 Q04609 1/20 0.37
PTGER1 P34995 1/20 0.37
PTGER4 P35408 1/20 0.37
PTGER3 P43115 1/20 0.37
PTGER2 P43116 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37

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
SCHEMBL5943144 1.00 DPP4 (0.44) DPP4KMT2AADRA2CLTB4RKCNA5
SCHEMBL9875547 1.00 DPP4 (0.44) DPP4KMT2AADRA2CLTB4RKCNA5
SCHEMBL10907039 1.00 DPP4 (0.44) DPP4KMT2AADRA2CLTB4RKCNA5
SCHEMBL27678166 0.98 DPP4 (0.46) DPP4KMT2AADRA2CLTB4RKCNA5
SCHEMBL27658164 0.95 DPP4 (0.48) DPP4KMT2AADRA2CKCNA5KCNH2
SCHEMBL9284366 0.85 DPP4 (0.50) DPP4KMT2AADRA2CKCNA5KCNH2
SCHEMBL30186568 0.81 CYSLTR2 (0.47) DPP4KMT2AADRA2CPPARACYSLTR2
Water SCHEMBL17044572 0.80 DPP4 (0.48) DPP4KMT2AADRA2CPPARAFOLH1
SCHEMBL28032774 0.80 LIPG (0.51) PPARACYSLTR2CYSLTR1
SCHEMBL27709842 0.80 LIPG (0.51) PPARACYSLTR2CYSLTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0087477-B1 LIQUID CRYSTAL DISPLAY DEVICE SONY CORPORATION (JP) 1988-11-30 EP claimed
JP-59197485-A None JP disclosed
US-5037575-A Photostability MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) 1991-08-06 US disclosed
EP-0187015-A2 Squarilium compound and liquid crystal composition containing the same MITSUBISHI KASEI CORPORATION (JP) 1986-07-09 EP disclosed
JP-S59197485-A LIQUID CRYSTAL DISPLAY DEVICE SONY CORP 1984-11-09 JP disclosed