SCHEMBL9521545

SCHEMBL9521545

O=[N+]([O-])c1cc(O)ccc1COCCO

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SNCA P37840 2/20 0.41
BACE1 P56817 2/20 0.40
EGFR P00533 2/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
ALOX15 P16050 2/20 0.36
ALOX12 P18054 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PDK1 Q15118 1/20 0.35
TSHR P16473 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
SCHEMBL16129686 0.82 CASP6 (0.54) TSHR
SCHEMBL28135355 0.82 SNCA (0.47) SNCABACE1EGFRALDH1A1CYP1A2
SCHEMBL10852408 0.81 ALDH1A1 (0.56) ALDH1A1KMT2ASMN1; SMN2TDP1TSHR
Di(Hydroxyethyl)Ether SCHEMBL7082245 0.80 TDP1 (0.49) BACE1ALDH1A1KDM4EALOX15KMT2A
SCHEMBL9383321 0.80 SNCA (0.48) SNCABACE1EGFRALDH1A1CYP1A2
SCHEMBL27881156 0.79 SNCA (0.44) SNCABACE1EGFRALDH1A1CYP1A2
SCHEMBL5929428 0.78 ALDH1A1 (0.56) SNCABACE1EGFRALDH1A1CYP1A2
SCHEMBL9281293 0.76 PDK1 (0.55) SNCABACE1EGFRALDH1A1CYP1A2
SCHEMBL28760029 0.75 SNCA (0.47) SNCABACE1EGFRALDH1A1CYP1A2
SCHEMBL9445071 0.74 TSHR (0.47) ALDH1A1KDM4EALOX15KMT2ASMN1; 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-0359618-B1 2-SUBSTITUTED PARA-AMINOPHENOLS AND THEIR USE IN THE COLORATION OF KERATINIC FIBRES L'OREAL (FR) 1993-03-17 EP disclosed
EP-0359618-A1 2-Substituted para-aminophenols and their use in the coloration of keratinic fibres L'OREAL (FR) 1990-03-21 EP disclosed