Acetoacetic Acid

Acetoacetic Acid

SCHEMBL9748613

C1=Cc2nc1cc1ccc([nH]1)c(-c1ccccn1)c1nc(c(-c3ccccn3)c3ccc([nH]3)c2-c2ccccn2)C=C1.CC(=O)CC(=O)O

nearest known ligand 0.48

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.48
▸ STAT1 P42224 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ TOP1 P11387 3/20 0.36
▸ CYCS P99999 4/20 0.35
▸ CBFB Q13951 3/20 0.33
▸ ABCG2 Q9UNQ0 1/20 0.33
▸ F2 P00734 1/20 0.32
▸ F12 P00748 1/20 0.32
▸ PLAU P00749 1/20 0.32
▸ METAP2 P50579 1/20 0.32
▸ METAP1 P53582 1/20 0.32
▸ SYK P43405 1/20 0.32

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
SCHEMBL9582368 0.82 STAT3 (0.57) STAT3STAT1KDM4ENPC1ALDH1A1
SCHEMBL460724 0.81 STAT3 (0.59) STAT3STAT1KDM4ENPC1ALDH1A1
Acetoacetic Acid SCHEMBL9752522 0.78 MEN1 (0.50) KDM4EHPGDSMN1; SMN2TOP1CYCS
SCHEMBL3522520 0.78 STAT3 (0.47) STAT3STAT1KDM4ENPC1ALDH1A1
SCHEMBL3518268 0.75 STAT3 (0.43) STAT3STAT1KDM4ENPC1ALDH1A1
SCHEMBL6009229 0.73 STAT3 (0.45) STAT3STAT1KDM4ENPC1ALDH1A1
SCHEMBL29822398 0.73 KDM4E (0.46) KDM4ENPC1ALDH1A1TP53HPGD
SCHEMBL432185 0.73 KDM4E (0.46) KDM4ENPC1ALDH1A1TP53HPGD
SCHEMBL28025879 0.73 STAT3 (0.49) STAT3STAT1KDM4ENPC1RAB9A
SCHEMBL31550992 0.73 STAT3 (0.86) STAT3STAT1TOP1CYCSABCG2

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-0510074-A1 PORPHYRIN DERIVATIVES AND METALLOPORPHYRINS OPTIONALLY COUPLED WITH A BIOLOGICALLY ACTIVE MOLECULE, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME CIS BIO INTERNATIONAL (FR) 1992-10-28 — — EP disclosed
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