SCHEMBL11235648

SCHEMBL11235648

CC(C(=O)O)c1ccc2c(c1)sc1ccc(Cl)cc12

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.60
MEN1 O00255 1/20 0.60
ABCC4 O15439 1/20 0.60
C5 P01031 1/20 0.60
MAPT P10636 1/20 0.60
PTGS1 P23219 1/20 0.60
KMT2A Q03164 1/20 0.60
PDE4D Q08499 1/20 0.60
PSEN1 P49768 2/20 0.47
PSEN2 P49810 2/20 0.47
APH1B Q8WW43 2/20 0.47
NCSTN Q92542 2/20 0.47
APH1A Q96BI3 2/20 0.47
PSENEN Q9NZ42 2/20 0.47

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
SCHEMBL11235490 0.88 PTGS2 (0.46) PTGS2MEN1ABCC4C5MAPT
SCHEMBL11228444 0.83 PSEN1 (0.53) PTGS2MEN1ABCC4C5MAPT
SCHEMBL11248448 0.82 AKR1B1 (0.55) PTGS2MEN1ABCC4C5MAPT
SCHEMBL7821349 0.80 APP (0.53) PTGS2MEN1MAPTPTGS1KMT2A
SCHEMBL11243536 0.79 PSEN1 (0.46) PTGS2MEN1ABCC4C5MAPT
SCHEMBL11246710 0.79 PSEN1 (0.42) PTGS2MEN1ABCC4C5MAPT
SCHEMBL11246813 0.79 PTGS2 (0.46) PTGS2MEN1ABCC4C5MAPT
Methoxymethane SCHEMBL11240049 0.76 PSEN1 (0.44) PTGS2MEN1ABCC4C5MAPT
SCHEMBL31324163 0.75 PTGS2 (0.86) PTGS2MEN1ABCC4C5MAPT
Carprofen SCHEMBL3698103 0.75 PTGS2 (1.00) PTGS2MEN1ABCC4C5MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4219657-A USED AS ANTIINFLAMATORY AGENTS, ANALGESICS, ANTIRHEUMATIC AGENTS HOFFMANN-LA ROCHE INC. (US) 1980-08-26 US claimed
US-4334078-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIRHEUMATICS HOFFMANN-LA ROCHE INC. (US) 1982-06-08 US disclosed
US-4219657-A USED AS ANTIINFLAMATORY AGENTS, ANALGESICS, ANTIRHEUMATIC AGENTS HOFFMANN-LA ROCHE INC. (US) 1980-08-26 US disclosed