SCHEMBL9489684

SCHEMBL9489684

CCCCCCOc1cccc(C(=O)NCCCCCCNC(=O)c2cccc(OCCCCCC)c2)c1

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.76
KMT2A Q03164 2/20 0.65
GAA P10253 1/20 0.65
MAPT P10636 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.64
NR1H4 Q96RI1 2/20 0.64
NAAA Q02083 1/20 0.62
HTR1A P08908 1/20 0.61
DRD2 P14416 1/20 0.61
HTR2A P28223 1/20 0.61
USP2 O75604 1/20 0.60
MAPK1 P28482 1/20 0.60
PLA2G4B P0C869 1/20 0.60
THRB P10828 2/20 0.59
THRA P10827 1/20 0.58

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
SCHEMBL9491756 0.87 HDAC3 (0.68) SMPD1KMT2AGAAMAPTSMN1; SMN2
SCHEMBL11325837 0.87 SMPD1 (0.82) SMPD1KMT2ANR1H4PLA2G4BTHRB
SCHEMBL9402606 0.87 SMPD1 (0.72) SMPD1KMT2ANR1H4USP2MAPK1
SCHEMBL28225796 0.86 SMPD1 (1.00) SMPD1KMT2ANR1H4PLA2G4BTHRB
SCHEMBL28225521 0.86 SMPD1 (1.00) SMPD1KMT2ANR1H4PLA2G4BTHRB
SCHEMBL31194774 0.86 SMPD1 (0.80) SMPD1KMT2ANR1H4USP2MAPK1
SCHEMBL28224821 0.86 SMPD1 (1.00) SMPD1KMT2ANR1H4PLA2G4BTHRB
SCHEMBL7742636 0.86 GAA (0.65) SMPD1KMT2AGAAMAPTSMN1; SMN2
SCHEMBL131829 0.85 SMN1; SMN2 (0.87) GAAMAPTSMN1; SMN2NAAATHRB
SCHEMBL6535127 0.85 SMN1; SMN2 (0.87) GAAMAPTSMN1; SMN2NAAATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5191003-A Diamide compound, improved tire gripping, vibration insulation SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-03-02 US disclosed
EP-0470776-A1 Rubber composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-02-12 EP disclosed