Acetone

Acetone

SCHEMBL8602775

CC(C)=O.Oc1ccc2[nH]c3ccccc3c2c1O

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IMPDH2 P12268 1/20 0.56
▸ IMPDH1 P20839 1/20 0.56
▸ CDK4 P11802 1/20 0.47
▸ CCND1 P24385 1/20 0.47
▸ GABRP O00591 1/20 0.46
▸ GABRD O14764 1/20 0.46
▸ GABRA1 P14867 1/20 0.46
▸ GABRB1 P18505 1/20 0.46
▸ GABRG2 P18507 1/20 0.46
▸ GABRB3 P28472 1/20 0.46
▸ GABRA5 P31644 1/20 0.46
▸ GABRA3 P34903 1/20 0.46
▸ GABRA2 P47869 1/20 0.46
▸ GABRB2 P47870 1/20 0.46
▸ GABRA4 P48169 1/20 0.46
▸ GABRE P78334 1/20 0.46
▸ GABRA6 Q16445 1/20 0.46
▸ GABRG1 Q8N1C3 1/20 0.46
▸ GABRG3 Q99928 1/20 0.46
▸ GABRQ Q9UN88 1/20 0.46

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
SCHEMBL3878246 0.91 IMPDH2 (0.66) IMPDH2IMPDH1CDK4CCND1GABRP
SCHEMBL9349845 0.81 ALDH1A1 (0.57) IMPDH2IMPDH1CDK4CCND1GABRP
Carbazole SCHEMBL28171971 0.78 ALDH1A1 (0.70) KDM4EKMT2AMTNR1AMTNR1BALDH1A1
SCHEMBL30392623 0.77 IMPDH2 (0.66) IMPDH2IMPDH1CDK4CCND1GABRP
Acetone SCHEMBL8600747 0.77 APP (0.55) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28393791 0.77 IMPDH2 (0.51) IMPDH2IMPDH1CDK4CCND1GABRP
SCHEMBL3878064 0.74 IMPDH2 (0.61) IMPDH2IMPDH1CDK4CCND1GABRP
SCHEMBL4892527 0.74 IMPDH2 (0.56) IMPDH2IMPDH1CDK4CCND1GABRP
SCHEMBL3874790 0.74 IMPDH2 (0.56) IMPDH2IMPDH1CDK4CCND1GABRP
SCHEMBL28032906 0.74 IMPDH2 (0.56) IMPDH2IMPDH1CDK4CCND1GABRP

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
EP-0563287-B1 METHODS, KITS AND REACTIVE SUPPORTS FOR 3' LABELING OF OLIGONUCLEOTIDES ABBOTT LAB (US) 1998-02-11 — — EP disclosed
EP-0563287-A4 METHODS, KITS AND REACTIVE SUPPORTS FOR 3' LABELING OF OLIGONUCLEOTIDES ABBOTT LAB (US) 1996-01-10 — — EP disclosed
EP-0563287-A1 METHODS, KITS AND REACTIVE SUPPORTS FOR 3' LABELING OF OLIGONUCLEOTIDES ABBOTT LABORATORIES (US) 1993-10-06 — — EP disclosed
WO-1992011388-A1 METHODS, KITS AND REACTIVE SUPPORTS FOR 3' LABELING OF OLIGONUCLEOTIDES ABBOTT LABORATORIES (US) 1992-07-09 — — WO disclosed
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