Acetoacetic Acid

Acetoacetic Acid

SCHEMBL11062529

CC(=O)CC(=O)O.Nc1ccccc1Cl

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54
POLB P06746 2/20 0.40
AKR1B1 P15121 1/20 0.40
CXCL8 P10145 2/20 0.39
RECQL P46063 1/20 0.39
ERCC5 P28715 1/20 0.39
FEN1 P39748 1/20 0.39
ALDH1A1 P00352 6/20 0.38
CFTR P13569 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
AKR1B10 O60218 1/20 0.37
UGT1A9 O60656 1/20 0.37
TRPA1 O75762 1/20 0.37
ABCB11 O95342 1/20 0.37
MT-CO2 P00403 1/20 0.37
TTR P02766 1/20 0.37
ALB P02768 1/20 0.37
UGT1A6 P19224 1/20 0.37

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
Glycine SCHEMBL27900643 0.85 TSHR (0.62) TSHRPOLBAKR1B1CXCL8RECQL
Acetoacetic Acid SCHEMBL11499670 0.85 ALDH1A1 (0.61) TSHRPOLBAKR1B1ALDH1A1KDM4E
Acetic Acid SCHEMBL7836902 0.85 TSHR (0.68) TSHRPOLBAKR1B1RECQLALDH1A1
Bicarbonate SCHEMBL28650787 0.80 TSHR (0.75) TSHRPOLBAKR1B1RECQLALDH1A1
O-Tolylamine SCHEMBL11500268 0.80 CYP3A4 (0.54) RECQLERCC5FEN1ALDH1A1CFTR
Questiomycin B SCHEMBL11499299 0.80 ALOX15 (0.56) TSHRAKR1B1RECQLALDH1A1CFTR
Acetoacetic Acid SCHEMBL11499836 0.80 ALDH1A1 (0.44) TSHRAKR1B1RECQLALDH1A1CFTR
O-Tolylamine SCHEMBL5679561 0.80 CYP3A4 (0.54) RECQLERCC5FEN1ALDH1A1CFTR
Acetoacetic Acid SCHEMBL11807425 0.79 TSHR (0.57) TSHRPOLBRECQLERCC5FEN1
Acetoacetic Acid SCHEMBL11059298 0.79 TSHR (0.57) TSHRPOLBERCC5FEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4474609-A Recrystallization-resistant monoazo pigment mixtures of high tinctorial strength, process for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1984-10-02 US disclosed
US-4453942-A Use of 1:2 cobalt complex dyes for dyeing leather or furs CIBA-GEIGY CORPORATION (US) 1984-06-12 US disclosed
US-4144231-A Soluble trisazo dyestuffs containing a 2-phenyl-benzimidazolyl, -benzoxazolyl or -benzthiazolyl middle component CASSELLA AKTIENGESELLSCHAFT (DE) 1979-03-13 US disclosed
US-3971741-A DISPERSION PIGMENTS BAYER AKTIENGESELLSCHAFT (DT) 1976-07-27 US disclosed