SCHEMBL9549340

SCHEMBL9549340

CCCCCCCCCCCCCCCC(=O)NCCCN(C)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.62
EPHX2 P34913 3/20 0.56
HPGD P15428 1/20 0.55
USP2 O75604 1/20 0.52
ASAH1 Q13510 1/20 0.51
FAAH O00519 2/20 0.50
BCHE P06276 1/20 0.50
GAA P10253 1/20 0.50
NAAA Q02083 1/20 0.49
MMP2 P08253 1/20 0.48

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
SCHEMBL9099535 0.87 USP2 (0.57) HPGDUSP2BCHEGAAMMP2
SCHEMBL9244171 0.82 MMP2 (0.50) USP2BCHEGAAMMP2
SCHEMBL9320586 0.82 ACKR3 (0.64) DNM1EPHX2HPGD
SCHEMBL4861149 0.81 USP2 (0.57) USP2BCHEGAA
SCHEMBL14496269 0.81 DNM1 (0.52) DNM1HPGDASAH1FAAHNAAA
Hydrochloric Acid SCHEMBL27718505 0.81 ACKR3 (0.63) DNM1EPHX2HPGD
Hydrochloric Acid SCHEMBL9872490 0.81 ACKR3 (0.63) DNM1EPHX2HPGD
SCHEMBL13415823 0.78 MTNR1A (0.66) USP2BCHE
SCHEMBL25413209 0.78 DNM1 (0.81) DNM1EPHX2HPGDFAAHNAAA
SCHEMBL74418 0.78 DNM1 (1.00) DNM1EPHX2HPGDFAAHNAAA

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