SCHEMBL7522666

SCHEMBL7522666

[O]Cc1ccc(C=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.48
HSD17B10 Q99714 1/20 0.48
ALDH5A1 P51649 1/20 0.48
ABAT P80404 1/20 0.48
ALDH1A1 P00352 6/20 0.46
ALDH1A3 P47895 2/20 0.44
ALDH3A1 P30838 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TYR P14679 1/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP2A13 Q16696 1/20 0.42
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.39
EGFR P00533 1/20 0.38
TRIM24 O15164 1/20 0.38
TRIM33 Q9UPN9 1/20 0.38

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
SCHEMBL10490665 0.84 ALDH1A1 (0.46) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL3976211 0.82 CYP2A6 (0.52) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL10621952 0.81 CYP2A6 (0.46) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL5429778 0.80 CYP2A6 (0.50) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL17906209 0.79 ALDH1A1 (0.42) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL4956384 0.78 CYP2A6 (0.69) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL31171 0.78 CYP2A6 (0.69) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL5358862 0.78 ALDH1A1 (0.37) HSD17B10ALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL4745365 0.78 CYP2A6 (0.48) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL8669516 0.76 CYP2A6 (0.46) CYP2A6HSD17B10ALDH5A1ABATALDH1A1

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-6399731-B2 SYNTHESIZING POLYMERS USING PHOSPHOROUS-CONTAINING ADDITION-FRAGMENTATION CHAIN TRANSFER AGENTS; MOLECULAR WEIGHT CONTROL THE UNIVERSITY OF AKRON 2002-06-04 US disclosed
US-20020016424-A1 Synthesizing polymers using phosphorous-containing addition-fragmentation chain transfer agents; molecular weight control AKRON, THE UNIVERSITY OF 2002-02-07 US disclosed
WO-2000020465-A1 NOVEL CHAIN TRANSFER AGENTS THE UNIVERSITY OF AKRON (US) 2000-04-13 WO disclosed
US-5536818-A Dichroic azo dye, liquid crystal composition containing the same, and liquid crystal element using the composition MITSUBISHI CHEMICAL CORPORATION (JP) 1996-07-16 US disclosed