SCHEMBL9878055

SCHEMBL9878055

CC(C(=O)NO)c1cccc(Oc2ccccc2)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.72
MEN1 O00255 1/20 0.65
CYP2D6 P10635 1/20 0.65
KMT2A Q03164 1/20 0.65
GLI1 P08151 1/20 0.59
GLI2 P10070 1/20 0.59
ALOX5 P09917 1/20 0.55
HDAC8 Q9BY41 1/20 0.53
LMNA P02545 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
PTGS2 P35354 1/20 0.50
TRPV1 Q8NER1 1/20 0.50
ACACB O00763 1/20 0.49
ACACA Q13085 1/20 0.49
NPY5R Q15761 1/20 0.48
FFAR1 O14842 1/20 0.48
MMP1 P03956 1/20 0.48
MMP2 P08253 1/20 0.48
MMP3 P08254 1/20 0.48
MMP7 P09237 1/20 0.48

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
SCHEMBL11531868 0.88 PTGS1 (0.72) PTGS1MEN1CYP2D6KMT2AGLI1
Fenoprofen SCHEMBL3797 0.84 PTGS1 (1.00) PTGS1MEN1CYP2D6KMT2AGLI1
Fenoprofen SCHEMBL29481372 0.84 PTGS1 (1.00) PTGS1MEN1CYP2D6KMT2AGLI1
R-Fenoprofen SCHEMBL4082 0.84 PTGS1 (1.00) PTGS1MEN1CYP2D6KMT2AGLI1
(S)-Fenoprofen SCHEMBL4492279 0.84 PTGS1 (1.00) PTGS1MEN1CYP2D6KMT2AGLI1
Fenoprofen SCHEMBL8754928 0.84 PTGS1 (1.00) PTGS1MEN1CYP2D6KMT2AGLI1
Fenoprofen SCHEMBL11336376 0.84 PTGS1 (1.00) PTGS1MEN1CYP2D6KMT2AGLI1
R-Fenoprofen SCHEMBL30910976 0.84 PTGS1 (1.00) PTGS1MEN1CYP2D6KMT2AGLI1
SCHEMBL8755064 0.83 PTGS1 (0.74) PTGS1MEN1CYP2D6KMT2AGLI1
SCHEMBL5110018 0.83 PTGS1 (0.74) PTGS1MEN1CYP2D6KMT2AGLI1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5036157-A Hydroxamic acid derivatives, lipoxygenase and cyclooxygenase inhibitors, anticoagulants, antiinflammatory agents BURROUGHS WELLCOME CO. 1991-07-30 US disclosed
US-4977188-A Hydroamic acid derivatives BURROUGHS WELLCOME CO. (US) 1990-12-11 US disclosed
WO-1990001929-A1 NEW MEDICAL USE THE WELLCOME FOUNDATION LIMITED (GB) 1990-03-08 WO disclosed
US-4738986-A CYCLOOXYGENASE, LIDOXYGENASE INHIBITORS BURROUGHS WELLCOME CO. (US) 1988-04-19 US disclosed
EP-0196184-A2 Aryl derivatives THE WELLCOME FOUNDATION LIMITED (GB) 1986-10-01 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