SCHEMBL11208198

SCHEMBL11208198

CC(=O)C(Sc1ccccc1)(Sc1ccccc1)C(C)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
HPGD P15428 2/20 0.47
FFAR1 O14842 1/20 0.41
MTNR1A P48039 4/20 0.41
MTNR1B P49286 4/20 0.41
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
HSD17B10 Q99714 2/20 0.38
NAPRT Q6XQN6 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MAPT P10636 3/20 0.38
MGLL Q99685 1/20 0.38
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL11264686 0.94 ALDH1A1 (0.42) ALDH1A1HPGDFFAR1MTNR1AMTNR1B
SCHEMBL11208151 0.87 OPRM1 (0.39) ALDH1A1HPGDFFAR1MTNR1AMTNR1B
SCHEMBL10523948 0.84 HSD17B10 (0.48) ALDH1A1HPGDHSD17B10NAPRTSMN1; SMN2
SCHEMBL15116699 0.80 ALDH1A1 (0.42) ALDH1A1HPGDFFAR1MTNR1AMTNR1B
SCHEMBL6688633 0.79 MAPT (0.43) ALDH1A1HPGDFFAR1HSD17B10SMN1; SMN2
SCHEMBL11201978 0.79 LMNA (0.43) ALDH1A1HPGDFFAR1MTNR1AMTNR1B
SCHEMBL11211696 0.79 OPRM1 (0.42) ALDH1A1HPGDFFAR1MTNR1AMTNR1B
SCHEMBL11265491 0.76 FFAR1 (0.38) ALDH1A1HPGDFFAR1MTNR1AMTNR1B
SCHEMBL3150010 0.74 SLC22A12 (0.50) ALDH1A1HPGDFFAR1
SCHEMBL9463528 0.74 ALDH1A1 (0.38) ALDH1A1HPGDFFAR1MTNR1AMTNR1B

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-0029719-B1 VULCANIZABLE RUBBER COMPOSITIONS INHIBITED FROM PREMATURE VULCANIZATION BY METHYLENE THIOETHERS, AND NOVEL METHYLENE THIOETHERS MONSANTO COMPANY (US) 1983-02-16 EP disclosed
US-4342705-A CONTAINING CARBONYL OR CYANO FUNCTIONAL GROUPS, USEFUL AS VULCANIZATION INHIBITORS MONSANTO COMPANY (US) 1982-08-03 US disclosed
EP-0029719-A1 Vulcanizable rubber compositions inhibited from premature vulcanization by methylene thioethers, and novel methylene thioethers MONSANTO COMPANY (US) 1981-06-03 EP disclosed
US-4271050-A Vulcanizable rubber compositions inhibited from premature vulcanization by methylene thioethers MONSANTO COMPANY (US) 1981-06-02 US disclosed