SCHEMBL10764751

SCHEMBL10764751

COc1c(/C=C/c2ccc(=O)[nH]n2)cccc1S(C)(=O)=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 2/20 0.60
▸ PTGS2 P35354 2/20 0.60
▸ NPC1 O15118 4/20 0.49
▸ RAB9A P51151 4/20 0.49
▸ LMNA P02545 3/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ KDM4E B2RXH2 4/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ HPGD P15428 2/20 0.45
▸ POLB P06746 2/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ AKR1B1 P15121 11/20 0.38
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MAOB P27338 1/20 0.36
▸ AGTR1 P30556 1/20 0.36
▸ MAPT P10636 2/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33

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
SCHEMBL10764757 1.00 PTGS1 (0.60) PTGS1PTGS2NPC1RAB9ALMNA
SCHEMBL10767483 0.84 PTGS1 (0.60) PTGS1PTGS2NPC1RAB9ALMNA
SCHEMBL10767480 0.84 PTGS1 (0.60) PTGS1PTGS2NPC1RAB9ALMNA
SCHEMBL10764664 0.81 PTGS1 (0.61) PTGS1PTGS2NPC1RAB9ALMNA
SCHEMBL10764670 0.81 PTGS1 (0.61) PTGS1PTGS2NPC1RAB9ALMNA
SCHEMBL10764836 0.81 PTGS1 (0.70) PTGS1PTGS2NPC1RAB9ALMNA
SCHEMBL10764829 0.81 PTGS1 (0.70) PTGS1PTGS2NPC1RAB9ALMNA
SCHEMBL10763600 0.79 PTGS1 (0.61) PTGS1PTGS2NPC1RAB9ALMNA
SCHEMBL10763605 0.79 PTGS1 (0.61) PTGS1PTGS2NPC1RAB9ALMNA
SCHEMBL10762620 0.78 LMNA (0.59) PTGS1PTGS2NPC1RAB9ALMNA

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-0210530-A1 6-Arylalkenyl pyridazinones MERCK PATENT GmbH (DE) 1987-02-04 — — EP disclosed
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