SCHEMBL10520239

SCHEMBL10520239

CC(C)(C)CC(C)(C)c1ccc(Oc2cc(N)c(O)cc2[N+](=O)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
NPSR1 Q6W5P4 2/20 0.44
HPGD P15428 1/20 0.44
MAPT P10636 4/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
CYP3A4 P08684 3/20 0.40
PDE7A Q13946 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
SHBG P04278 1/20 0.38
PTPN1 P18031 1/20 0.37
LMNA P02545 2/20 0.37
ALDH3A1 P30838 1/20 0.36
MAPK1 P28482 2/20 0.36
HTT P42858 2/20 0.36
MDH1 P40925 2/20 0.36
MDH2 P40926 2/20 0.36
HSPB1 P04792 1/20 0.36
MERTK Q12866 1/20 0.36
TBXA2R P21731 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
SCHEMBL10520248 0.85 CNR1 (0.43) ALDH1A1NPSR1HPGDMAPTKMT2A
SCHEMBL10522990 0.80 ALDH1A1 (0.48) ALDH1A1NPSR1HPGDMAPTKMT2A
SCHEMBL10521536 0.80 ALDH1A1 (0.45) ALDH1A1NPSR1HPGDMAPTKMT2A
SCHEMBL8977077 0.75 ALDH3A1 (0.60) ALDH1A1NPSR1HPGDMAPTKMT2A
SCHEMBL10520361 0.72 LMNA (0.52) ALDH1A1NPSR1HPGDMAPTKMT2A
SCHEMBL6554667 0.72 CYP3A4 (0.51) ALDH1A1NPSR1HPGDMAPTKMT2A
SCHEMBL4670457 0.72 HSPB1 (0.51) ALDH1A1NPSR1MAPTKMT2AMEN1
SCHEMBL10385267 0.72 TSHR (0.51) ALDH1A1MAPTKMT2AMEN1CYP3A4
SCHEMBL6720880 0.71 TBXA2R (0.52) TBXA2R
SCHEMBL7647567 0.70 NPC1 (0.42) ALDH1A1NPSR1HPGDMAPTKMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4831152-A INTERMEDIATES FOR REDUCING AGENTS, ANTIOXIDANTS AND CYAN-IMAGE FORMING COUPLERS FUJI PHOTO FILM CO., LTD. (JP) 1989-05-16 US disclosed