SCHEMBL11533347

SCHEMBL11533347

CC(CN(C)C(=O)O)c1cccc(Oc2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.58
ALOX5 P09917 1/20 0.54
MEN1 O00255 1/20 0.53
CYP2D6 P10635 1/20 0.53
KMT2A Q03164 1/20 0.53
NPY5R Q15761 3/20 0.48
PTGES O14684 1/20 0.48
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HTR1D P28221 1/20 0.47
HTR1B P28222 1/20 0.47
LMNA P02545 1/20 0.45
GLI1 P08151 1/20 0.45
GLI2 P10070 1/20 0.45
FAAH O00519 1/20 0.44
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
FFAR1 O14842 1/20 0.44
EPOR P19235 1/20 0.43

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
SCHEMBL11742132 0.85 PTGS1 (0.51) PTGS1ALOX5MEN1CYP2D6KMT2A
SCHEMBL11534559 0.84 PTGS1 (0.54) PTGS1ALOX5MEN1CYP2D6KMT2A
Hydrochloric Acid SCHEMBL11533828 0.82 PTGS1 (0.53) PTGS1ALOX5MEN1CYP2D6KMT2A
SCHEMBL11539169 0.81 PTGS1 (0.52) PTGS1ALOX5MEN1CYP2D6KMT2A
SCHEMBL11534785 0.81 PTGS1 (0.61) PTGS1ALOX5MEN1CYP2D6KMT2A
SCHEMBL11141447 0.80 PTGS1 (0.65) PTGS1ALOX5MEN1CYP2D6KMT2A
SCHEMBL11138445 0.78 PTGS1 (0.63) PTGS1ALOX5MEN1CYP2D6KMT2A
SCHEMBL11145407 0.77 PTGS1 (0.61) PTGS1ALOX5MEN1CYP2D6KMT2A
SCHEMBL11531884 0.77 PTGS1 (0.61) PTGS1ALOX5MEN1CYP2D6KMT2A
SCHEMBL11531592 0.76 PTGS1 (0.60) PTGS1ALOX5MEN1CYP2D6KMT2A

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
US-4145557-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIPYRETICS ELI LILLY AND COMPANY (US) 1979-03-20 US disclosed
US-4062895-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC ELI LILLY AND COMPANY (US) 1977-12-13 US disclosed
US-4001322-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC ELI LILLY AND COMPANY (US) 1977-01-04 US disclosed
US-3972934-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC ELI LILLY AND COMPANY (US) 1976-08-03 US disclosed