SCHEMBL7040469

SCHEMBL7040469

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

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.77
MEN1 O00255 1/20 0.68
CYP2D6 P10635 1/20 0.68
KMT2A Q03164 1/20 0.68
ALOX5 P09917 2/20 0.65
GLI1 P08151 1/20 0.52
GLI2 P10070 1/20 0.52
AKR1C3 P42330 1/20 0.49
ACACB O00763 1/20 0.48
ACACA Q13085 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
LMNA P02545 1/20 0.48
NPY5R Q15761 1/20 0.47
FFAR1 O14842 1/20 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
SCHEMBL7032448 1.00 PTGS1 (0.77) PTGS1MEN1CYP2D6KMT2AALOX5
SCHEMBL15486229 0.90 PTGS1 (0.63) PTGS1MEN1CYP2D6KMT2AALOX5
SCHEMBL11662630 0.88 PTGS1 (0.72) PTGS1MEN1CYP2D6KMT2AALOX5
(S)-Fenoprofen SCHEMBL4492279 0.87 PTGS1 (1.00) PTGS1MEN1CYP2D6KMT2AALOX5
Fenoprofen SCHEMBL8754928 0.87 PTGS1 (1.00) PTGS1MEN1CYP2D6KMT2AALOX5
R-Fenoprofen SCHEMBL4082 0.87 PTGS1 (1.00) PTGS1MEN1CYP2D6KMT2AALOX5
Fenoprofen SCHEMBL29481372 0.87 PTGS1 (1.00) PTGS1MEN1CYP2D6KMT2AALOX5
Fenoprofen SCHEMBL11336376 0.87 PTGS1 (1.00) PTGS1MEN1CYP2D6KMT2AALOX5
Fenoprofen SCHEMBL3797 0.87 PTGS1 (1.00) PTGS1MEN1CYP2D6KMT2AALOX5
R-Fenoprofen SCHEMBL30910976 0.87 PTGS1 (1.00) PTGS1MEN1CYP2D6KMT2AALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4001322-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC ELI LILLY AND COMPANY (US) 1977-01-04 US claimed
US-20030049807-A1 Micro-organism possessing enantioselective and regioselective nitrile hydratase/amidase activities INSTITUTO BIOCHIMICO ITALIANO GIOVANNI LOREZINI S.P.A. (IT) 2003-03-13 US disclosed
EP-1291435-A2 A micro-organism possessing enantioselective and regioselective nitrile hydratase/amidase activities ISTITUTO BIOCHIMICO ITALIANO GIOVANNI LORENZINI S.p.A. (IT) 2003-03-12 EP disclosed
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