SCHEMBL9549209

SCHEMBL9549209

CCCCCCCCCCCCCCCC[N+](C)(C)CCCN1CCCCC1=O

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.44
DNM1 Q05193 5/20 0.43
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
GAA P10253 1/20 0.39

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
SCHEMBL23001106 0.95 HTT (0.46) HTTDNM1MEN1POLBKMT2A
Hydrochloric Acid SCHEMBL9757097 0.93 HTT (0.43) HTTDNM1KMT2AGAA
SCHEMBL10575712 0.87 HTT (0.41) HTTDNM1KMT2AGAA
SCHEMBL9549294 0.87 ALOX5 (0.41) MEN1POLBKMT2AGAA
SCHEMBL10792403 0.86 ALOX5 (0.47) KMT2AGAA
SCHEMBL245238 0.86 ALOX5 (0.47) KMT2AGAA
SCHEMBL3728710 0.86 ALOX5 (0.47) KMT2AGAA
SCHEMBL3732638 0.86 ALOX5 (0.47) KMT2AGAA
SCHEMBL31602023 0.86 ALOX5 (0.47) KMT2AGAA
SCHEMBL24072918 0.86 ALOX5 (0.47) KMT2AGAA

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 4 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
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