SCHEMBL9549037

SCHEMBL9549037

CCCCCCCCCCCCCCCCCC(=O)NCC[N+](CC)(CCCCCCCCCCCCCCCC)CN1CCCC1=O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.39
FAAH O00519 4/20 0.39
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
OPRD1 P41143 1/20 0.38
DNM1 Q05193 2/20 0.38
KMT2A Q03164 2/20 0.38
SIRT2 Q8IXJ6 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LPAR1 Q92633 1/20 0.36
CASP2 P42575 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL9549523 0.92 KDM4E (0.40) GAAMAPK1FAAHHPGDKDM4E
SCHEMBL9549376 0.91 FAAH (0.43) GAAMAPK1FAAHHPGDKDM4E
SCHEMBL9549456 0.91 CASP2 (0.43) GAAMAPK1FAAHHPGDKDM4E
Hydrochloric Acid SCHEMBL9549298 0.90 FAAH (0.42) GAAMAPK1FAAHHPGDKDM4E
SCHEMBL9549254 0.90 FAAH (0.44) GAAMAPK1FAAHHPGDKDM4E
SCHEMBL9549078 0.90 FAAH (0.44) GAAMAPK1FAAHHPGDKDM4E
SCHEMBL9549058 0.90 FAAH (0.44) GAAMAPK1FAAHHPGDKDM4E
SCHEMBL9549147 0.89 CASP2 (0.42) GAAMAPK1FAAHHPGDKDM4E
SCHEMBL10391820 0.88 KCNH2 (0.43) MAPK1HPGDALDH1A1TSHRKMT2A
SCHEMBL9549404 0.87 CASP2 (0.40) GAAMAPK1FAAHHPGDKDM4E

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