SCHEMBL10760692

SCHEMBL10760692

COc1cc(/C=C/c2ccc(=O)[nH]n2)c(OC)c(OC)c1S(C)(=O)=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 3/20 0.57
▸ PTGS1 P23219 2/20 0.57
▸ LMNA P02545 4/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ NPC1 O15118 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ CYP1A2 P05177 3/20 0.41
▸ HPGD P15428 3/20 0.41
▸ POLB P06746 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ PDE4A P27815 3/20 0.37
▸ PDE4B Q07343 3/20 0.37
▸ PDE4C Q08493 3/20 0.37
▸ PDE4D Q08499 3/20 0.37
▸ AKR1B1 P15121 2/20 0.36
▸ MMP9 P14780 2/20 0.34
▸ TUBB4A P04350 1/20 0.34
▸ TUBB P07437 1/20 0.34

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
SCHEMBL10760699 1.00 PTGS2 (0.57) PTGS2PTGS1LMNASMN1; SMN2NPC1
SCHEMBL10765574 0.84 LMNA (0.59) PTGS2PTGS1LMNASMN1; SMN2NPC1
SCHEMBL10765567 0.84 LMNA (0.59) PTGS2PTGS1LMNASMN1; SMN2NPC1
SCHEMBL10765057 0.81 PTGS2 (0.60) PTGS2PTGS1LMNASMN1; SMN2NPC1
SCHEMBL10764829 0.81 PTGS1 (0.70) PTGS2PTGS1LMNASMN1; SMN2NPC1
SCHEMBL10764836 0.81 PTGS1 (0.70) PTGS2PTGS1LMNASMN1; SMN2NPC1
SCHEMBL10765063 0.81 PTGS2 (0.60) PTGS2PTGS1LMNASMN1; SMN2NPC1
SCHEMBL10761096 0.80 PTGS2 (0.58) PTGS2PTGS1LMNASMN1; SMN2NPC1
SCHEMBL10761091 0.80 PTGS2 (0.58) PTGS2PTGS1LMNASMN1; SMN2NPC1
SCHEMBL10760555 0.79 PTGS1 (0.63) PTGS2PTGS1LMNASMN1; SMN2NPC1

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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