SCHEMBL9315430

SCHEMBL9315430

CCOC1=CC=CC(C=O)C1(OCc1ccccc1)[N+](=O)[O-]

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
TAAR1 Q96RJ0 1/20 0.33
MAPT P10636 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MRGPRX4 Q96LA9 2/20 0.32
LMNA P02545 4/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
HPGD P15428 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
HTT P42858 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALOX12 P18054 1/20 0.31
NTSR1 P30989 1/20 0.31
CCR6 P51684 1/20 0.31
MCL1 Q07820 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA1D P25100 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
SCHEMBL23748559 0.70 NPC1 (0.33) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL5289688 0.64 ALDH1A1 (0.36) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL4757678 0.61 KMT2A (0.35) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL6710688 0.61 TSHR (0.32) ALDH1A1MEN1KMT2AMAOAMAOB
SCHEMBL4367842 0.59 PDE1C (0.34) MEN1KMT2ANPC1RAB9ACYP19A1
SCHEMBL9315374 0.58 ALDH1A1 (0.44) ALDH1A1TAAR1MAPTMEN1KMT2A
SCHEMBL4649386 0.58 CA2 (0.37) MEN1KMT2ANPC1RAB9AHTT
SCHEMBL1134295 0.55 MAPT (0.35) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL27930925 0.55 MEN1 (0.50) ALDH1A1MEN1KMT2ALMNANPC1
SCHEMBL156310 0.54 TSHR (0.48) ALDH1A1MEN1KMT2ANPC1RAB9A

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-5354870-A Hair dyes L'OREAL (FR) 1994-10-11 US disclosed
US-5131911-A Hair dyes L'OREAL (FR) 1992-07-21 US disclosed