SCHEMBL9549192

SCHEMBL9549192

CCCCCCCCCCCCCCCCCC(=O)NCCCCN(CCCCNC(=O)CCCCCCCCCCCCCCCCC)CCCCNC(=O)CCCCCCCCCCCCCCCCC

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.70
CASP2 P42575 1/20 0.67
FAAH O00519 5/20 0.66
NAAA Q02083 1/20 0.62
EPHX2 P34913 3/20 0.58
SLC6A5 Q9Y345 2/20 0.56
EPHX1 P07099 2/20 0.52
KDM5A P29375 2/20 0.51
PHF8 Q9UPP1 2/20 0.51
KDM4C Q9H3R0 1/20 0.51

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
SCHEMBL28138496 0.96 DNM1 (0.75) DNM1CASP2FAAHNAAAEPHX2
SCHEMBL9549222 0.96 DNM1 (0.75) DNM1CASP2FAAHNAAAEPHX2
SCHEMBL12791797 0.95 DNM1 (0.64) DNM1CASP2FAAHNAAAEPHX2
SCHEMBL12792174 0.95 DNM1 (0.64) DNM1CASP2FAAHNAAAEPHX2
SCHEMBL12792092 0.95 DNM1 (0.64) DNM1CASP2FAAHNAAAEPHX2
SCHEMBL9289460 0.95 DNM1 (0.64) DNM1CASP2FAAHNAAAEPHX2
SCHEMBL12790652 0.95 DNM1 (0.64) DNM1CASP2FAAHNAAAEPHX2
SCHEMBL9549210 0.95 DNM1 (0.77) DNM1CASP2FAAHNAAAEPHX2
SCHEMBL9549484 0.95 DNM1 (0.77) DNM1CASP2FAAHNAAAEPHX2
SCHEMBL1601797 0.93 DNM1 (0.66) DNM1CASP2FAAHNAAAEPHX2

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-0288515-B1 QUATERNIZED NITROGEN CONTAINING COMPOUNDS ISP INVESTMENTS INC. (US) 1993-05-05 EP disclosed
EP-0288515-A4 QUATERNIZED NITROGEN CONTAINING COMPOUNDS 1990-09-26 EP disclosed
US-4837013-A VISCOSITY ENHANCING AND HAIR CONDITIONING PROPERTIES GAF CORPORATION (US) 1989-06-06 US disclosed
EP-0288515-A1 QUATERNIZED NITROGEN CONTAINING COMPOUNDS. GAF CORP (US) 1988-11-02 EP disclosed
WO-1988002985-A1 QUATERNIZED NITROGEN CONTAINING COMPOUNDS GAF CORPORATION (US) 1988-05-05 WO disclosed