SCHEMBL1726974

SCHEMBL1726974

CCCCc1ccc(-c2cc(Nc3ccccc3)ccc2-c2ccc(-c3ccc(Nc4ccccc4)cc3)cc2-c2ccc(CCCC)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.43
HSD11B1 P28845 2/20 0.42
RARB P10826 6/20 0.41
MAPT P10636 3/20 0.40
HPGD P15428 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
ALOX12 P18054 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
PSMB5 P28074 1/20 0.40
APP P05067 1/20 0.40
NPC1 O15118 1/20 0.38
CASP3 P42574 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL3990792 0.96 TRPV1 (0.46) TRPV1HSD11B1RARBMAPTHPGD
SCHEMBL9898781 0.93 TRPV1 (0.46) TRPV1HSD11B1RARBMAPTHPGD
SCHEMBL29977076 0.93 TRPV1 (0.46) TRPV1HSD11B1RARBMAPTHPGD
SCHEMBL9898782 0.87 MAPKAPK2 (0.43) TRPV1HSD11B1RARBMAPTHPGD
SCHEMBL919586 0.87 MEN1 (0.39) HSD11B1RARBMAPTHPGDSMN1; SMN2
SCHEMBL2207287 0.85 NPSR1 (0.45) TRPV1HSD11B1RARBMAPTHPGD
SCHEMBL5617645 0.84 APP (0.42) HSD11B1RARBMAPTHPGDSMN1; SMN2
SCHEMBL28272316 0.83 HSD11B1 (0.57) TRPV1HSD11B1RARBMAPTHPGD
SCHEMBL24570956 0.81 MAPT (0.55) TRPV1HSD11B1MAPTHPGDSMN1; SMN2
SCHEMBL2539187 0.81 TRPV1 (0.58) TRPV1HSD11B1MAPTHPGDSMN1; SMN2

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-2403657-A1 PROCESS FOR PREPARING STRUCTURED ORGANIC FILMS (SOFS) VIA A PRE-SOF Xerox Corporation (US) 2012-01-11 EP disclosed
WO-2010102043-A1 PROCESS FOR PREPARING STRUCTURED ORGANIC FILMS (SOFS) VIA A PRE-SOF XEROX CORPORATION (US) 2010-09-10 WO disclosed