SCHEMBL9549424

SCHEMBL9549424

CCCCCCCCCCCC(=O)NCCN(CCNC(=O)CCCCCCCCCCC)CCNC(=O)CCCCCCCCCCC

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.77
FAAH O00519 6/20 0.70
CASP2 P42575 1/20 0.60
NAAA Q02083 1/20 0.56
HSP90AA1 P07900 1/20 0.53
EPHX2 P34913 3/20 0.53
SELP P16109 1/20 0.53
CNR1 P21554 2/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
TRPV1 Q8NER1 1/20 0.51
CNR2 P34972 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
SCHEMBL8399025 0.96 DNM1 (0.72) DNM1FAAHCASP2NAAAHSP90AA1
SCHEMBL30823019 0.96 DNM1 (0.72) DNM1FAAHCASP2NAAAHSP90AA1
SCHEMBL3853645 0.96 DNM1 (0.72) DNM1FAAHCASP2NAAAHSP90AA1
SCHEMBL8397761 0.96 DNM1 (0.72) DNM1FAAHCASP2NAAAHSP90AA1
SCHEMBL2458053 0.96 DNM1 (0.72) DNM1FAAHCASP2NAAAHSP90AA1
SCHEMBL24728718 0.96 DNM1 (0.72) DNM1FAAHCASP2NAAAHSP90AA1
SCHEMBL11440198 0.96 DNM1 (0.72) DNM1FAAHCASP2NAAAHSP90AA1
SCHEMBL6930931 0.96 DNM1 (0.72) DNM1FAAHCASP2NAAAHSP90AA1
SCHEMBL8394133 0.96 DNM1 (0.72) DNM1FAAHCASP2NAAAHSP90AA1
SCHEMBL8394200 0.96 DNM1 (0.72) DNM1FAAHCASP2NAAAHSP90AA1

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