SCHEMBL11216286

SCHEMBL11216286

COC(=O)/C=C/c1cc(C(C)(C)C)cc(N)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
MAPT P10636 4/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
KDM4E B2RXH2 3/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
CYP2C19 P33261 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
TTR P02766 1/20 0.40
APP P05067 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40

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
SCHEMBL11216290 1.00 ALDH1A1 (0.46) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL11213266 0.85 CNKSR1 (0.48) TTRCA12CA1CA2CA7
SCHEMBL11213254 0.85 CNKSR1 (0.48) TTRCA12CA1CA2CA7
Hydrochloric Acid SCHEMBL11210321 0.84 CNKSR1 (0.47) TTRCA12CA1CA2CA7
Hydrochloric Acid SCHEMBL11210315 0.84 CNKSR1 (0.47) TTRCA12CA1CA2CA7
SCHEMBL6365095 0.83 ALDH1A1 (0.46) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL6170259 0.81 ALDH1A1 (0.47) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL6170253 0.81 ALDH1A1 (0.47) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL11217788 0.79 ALDH1A1 (0.48) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL11217784 0.79 ALDH1A1 (0.48) ALDH1A1MAPTMEN1KMT2AKDM4E

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
EP-0081321-A1 2-Aminophenol derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1983-06-15 EP disclosed