SCHEMBL9549404

SCHEMBL9549404

CCCCCCCCCCCCCC(=O)NCCCC[N+](CCCNC(=O)CC)(CCCNC(=O)CC)CN1CCCC1=O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.40
FAAH O00519 3/20 0.40
OPRD1 P41143 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GAA P10253 1/20 0.39
NAAA Q02083 1/20 0.39
MAPK1 P28482 1/20 0.38
DNM1 Q05193 1/20 0.38
EPHX2 P34913 3/20 0.38
SLC6A5 Q9Y345 1/20 0.37

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
SCHEMBL9549456 0.96 CASP2 (0.43) CASP2FAAHOPRD1ALDH1A1KDM4E
SCHEMBL9549376 0.96 FAAH (0.43) CASP2FAAHOPRD1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL9549298 0.95 FAAH (0.42) CASP2FAAHOPRD1ALDH1A1KDM4E
SCHEMBL9549254 0.95 FAAH (0.44) CASP2FAAHOPRD1ALDH1A1KDM4E
SCHEMBL9549078 0.95 FAAH (0.44) CASP2FAAHOPRD1ALDH1A1KDM4E
SCHEMBL9549058 0.95 FAAH (0.44) CASP2FAAHOPRD1ALDH1A1KDM4E
SCHEMBL9549147 0.94 CASP2 (0.42) CASP2FAAHOPRD1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL9549502 0.89 KMT2A (0.39) ALDH1A1TSHRHSD17B10GAA
SCHEMBL10391809 0.89 TSHR (0.40) CASP2FAAHOPRD1ALDH1A1KDM4E
SCHEMBL10391355 0.88 ALDH1A1 (0.47) ALDH1A1TSHR

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