SCHEMBL1726976

SCHEMBL1726976

CCCCc1ccc(-c2c(Nc3ccccc3)ccc(-c3ccc(-c4ccc(Nc5ccccc5)cc4)cc3)c2-c2ccc(CCCC)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.41
HSD11B1 P28845 2/20 0.40
RARB P10826 3/20 0.40
MAPT P10636 4/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 2/20 0.39
MAPK1 P28482 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 1/20 0.38
ALOX12 P18054 1/20 0.38
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 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
SCHEMBL3990796 0.99 TRPV1 (0.42) TRPV1HSD11B1RARBMAPTL3MBTL1
SCHEMBL27957227 0.89 HSD11B1 (0.40) TRPV1HSD11B1MAPTL3MBTL1MEN1
SCHEMBL919587 0.88 MEN1 (0.39) TRPV1HSD11B1RARBMAPTL3MBTL1
SCHEMBL9898782 0.85 MAPKAPK2 (0.43) TRPV1HSD11B1RARBMAPTL3MBTL1
SCHEMBL31265542 0.82 ALDH1A1 (0.45) MAPTL3MBTL1MEN1LMNAMAPK1
SCHEMBL8417377 0.81 SOAT1 (0.34) HSD11B1MAPTL3MBTL1MEN1LMNA
SCHEMBL28272316 0.81 HSD11B1 (0.57) TRPV1HSD11B1RARBMAPTL3MBTL1
SCHEMBL3990792 0.80 TRPV1 (0.46) TRPV1HSD11B1RARBMAPTL3MBTL1
SCHEMBL29977076 0.80 TRPV1 (0.46) TRPV1HSD11B1RARBMAPTL3MBTL1
SCHEMBL9898781 0.80 TRPV1 (0.46) TRPV1HSD11B1RARBMAPTL3MBTL1

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