SCHEMBL9891035

SCHEMBL9891035

CC(C)/[N+]([O-])=C/c1ccc(/C=[N+](\[O-])C(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.41
RAB9A P51151 3/20 0.41
ALDH1A1 P00352 8/20 0.33
MAPT P10636 7/20 0.33
ALOX15 P16050 2/20 0.33
TSHR P16473 2/20 0.33
RECQL P46063 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 2/20 0.31
HPGD P15428 1/20 0.31
FBP1 P09467 1/20 0.31
TYR P14679 1/20 0.31

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
SCHEMBL30128857 0.91 FBP1 (0.44) NPC1RAB9AALDH1A1MAPTRECQL
SCHEMBL30128697 0.89 TYR (0.48) NPC1RAB9AALDH1A1NPSR1TYR
SCHEMBL14993280 0.89 EGFR (0.42) NPC1RAB9AALDH1A1MAPTFBP1
SCHEMBL6776338 0.89 APP (0.37) NPC1RAB9AALDH1A1MAPT
SCHEMBL14993281 0.89 EGFR (0.42) NPC1RAB9AALDH1A1MAPTFBP1
SCHEMBL13924679 0.88 NPC1 (0.45) NPC1RAB9AALDH1A1MAPTALOX15
SCHEMBL30128650 0.85 FBP1 (0.49) NPC1RAB9AALDH1A1MAPTTSHR
SCHEMBL5267615 0.85 ALDH1A1 (0.49) NPC1RAB9AALDH1A1MAPTALOX15
SCHEMBL13232789 0.82 FBP1 (0.50) ALDH1A1MAPTTSHRHPGDFBP1
SCHEMBL6154562 0.81 PTGS2 (0.51) NPC1RAB9AMAPTTSHRRECQL

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
US-20120142853-A1 NOVEL PHENOLIC RESINS SWEDO RAYMOND J (US) 2012-06-07 US disclosed
US-7319131-B2 Phenolic resins ANGUS CHEMICAL COMPANY (US) 2008-01-15 US disclosed