SCHEMBL28667961

SCHEMBL28667961

CC(=O)Nc1cc(Br)cc(C(C)=O)c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.49
▸ HTT P42858 2/20 0.43
▸ HSD17B10 Q99714 3/20 0.42
▸ ALOX15 P16050 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ MAPT P10636 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ EGFR P00533 1/20 0.41
▸ ERBB2 P04626 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ LCK P06239 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ PTGS1 P23219 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ MAPK14 Q16539 1/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ HSPD1 P10809 2/20 0.41

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
SCHEMBL11594811 0.81 TDP1 (0.48) ALDH1A1HTTALOX15MAPTMAPK1
SCHEMBL6772319 0.80 HSD17B10 (0.44) ALDH1A1HSD17B10ALOX15KDM4EMAPT
SCHEMBL28536748 0.79 GPR35 (0.43) ALDH1A1HTTHSD17B10KDM4EMAPT
SCHEMBL29447275 0.79 GPR35 (0.43) ALDH1A1HTTHSD17B10KDM4EMAPT
SCHEMBL796957 0.76 ALDH1A1 (0.73) ALDH1A1HTTHSD17B10ALOX15KDM4E
SCHEMBL2070725 0.75 AKR1C4 (0.67) ALDH1A1HTTHSD17B10KDM4EMAPT
SCHEMBL11067331 0.75 MEN1 (0.35) ALDH1A1HTTKDM4EMAPTMAPK1
SCHEMBL27387977 0.75 PKM (0.47) ALDH1A1HTTMAPTLMNAMEN1
SCHEMBL21200040 0.73 ERN1 (0.50) ALDH1A1HTTMAPTLMNAMEN1
SCHEMBL1546708 0.73 KDR (0.46) ALDH1A1HTTALOX15KDM4EMAPT

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
CN-109824537-B Preparation method of N- (3-acetyl-2-hydroxyphenyl) acetamide 重庆医药高等专科学校 2021-12-28 — — CN claimed
CN-109824537-B Preparation method of N- (3-acetyl-2-hydroxyphenyl) acetamide 重庆医药高等专科学校 2021-12-28 — — CN disclosed
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