SCHEMBL6203753

SCHEMBL6203753

CC(=O)Oc1ccccc1Sc1cccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.51
LMNA P02545 1/20 0.48
RECQL P46063 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
IFNAR1 P17181 1/20 0.48
ALDH1A1 P00352 1/20 0.46
PGR P06401 1/20 0.46
GAA P10253 1/20 0.46
PTGS1 P23219 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 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
SCHEMBL5355341 0.87 PTGS2 (0.64) PTGS2ALDH1A1PTGS1HSD17B10
Alpha-Naphthylacetate SCHEMBL76633 0.81 ALDH1A1 (0.66) PTGS2RECQLALDH1A1PGRGAA
Alpha-Naphthylacetate SCHEMBL29372782 0.81 ALDH1A1 (0.66) PTGS2RECQLALDH1A1PGRGAA
Alpha-Naphthylacetate SCHEMBL10751544 0.80 ALDH1A1 (0.64) PTGS2RECQLALDH1A1PGRGAA
Alpha-Naphthylacetate SCHEMBL14715837 0.80 ALDH1A1 (0.64) PTGS2RECQLALDH1A1PGRGAA
Alpha-Naphthylacetate SCHEMBL11320989 0.80 ALDH1A1 (0.64) PTGS2RECQLALDH1A1PGRGAA
Alpha-Naphthylacetate SCHEMBL10751537 0.80 ALDH1A1 (0.64) PTGS2RECQLALDH1A1PGRGAA
Alpha-Naphthylacetate SCHEMBL15903555 0.80 ALDH1A1 (0.64) PTGS2RECQLALDH1A1PGRGAA
Alpha-Naphthylacetate SCHEMBL14715880 0.80 ALDH1A1 (0.64) PTGS2RECQLALDH1A1PGRGAA
Alpha-Naphthylacetate SCHEMBL28643889 0.80 ALDH1A1 (0.64) PTGS2RECQLALDH1A1PGRGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1492795-A1 1- OR 3-THIA-BENZONAPHTHOAZULENES AS INHIBITORS OF TUMOUR NECROSIS FACTOR PRODUCTION AND INTERMEDIATES FOR THE PREPARATION THEREOF PLIVA-ISTRAZIVACKI INSTITUT d.o.o. (HR) 2005-01-05 EP disclosed
WO-2003084961-A1 1- OR 3-THIA-BENZONAPHTHOAZULENES AS INHIBITORS OF TUMOUR NECROSIS FACTOR PRODUCTION AND INTERMEDIATES FOR THE PREPARATION THEREOF PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2003-10-16 WO disclosed