SCHEMBL9549523

SCHEMBL9549523

CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](CC)(CCNCC)CN1CCCC1=O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPK1 P28482 1/20 0.39
FAAH O00519 4/20 0.38
OPRD1 P41143 1/20 0.38
GAA P10253 1/20 0.38
DNM1 Q05193 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CASP2 P42575 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL9549037 0.92 GAA (0.40) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL9549078 0.91 FAAH (0.44) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL9549254 0.91 FAAH (0.44) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL9549058 0.91 FAAH (0.44) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL9549376 0.90 FAAH (0.43) KDM4EALDH1A1HPGDTSHRHSD17B10
Hydrochloric Acid SCHEMBL9549298 0.89 FAAH (0.42) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL9549456 0.87 CASP2 (0.43) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL9549404 0.86 CASP2 (0.40) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL9549147 0.85 CASP2 (0.42) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL10391809 0.85 TSHR (0.40) KDM4EALDH1A1HPGDTSHRHSD17B10

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 2 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
US-4837013-A VISCOSITY ENHANCING AND HAIR CONDITIONING PROPERTIES GAF CORPORATION (US) 1989-06-06 US disclosed