Fenclofenac

Fenclofenac

SCHEMBL9692633

O=C(O)Cc1ccccc1Oc1ccc(Cl)cc1Cl.[NaH]

nearest known ligand 0.97

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

PTGS1PTGS2

The experimentally established mechanism targets of Fenclofenac. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.97
CXCL8 P10145 3/20 0.73
CAMK2A Q9UQM7 1/20 0.59
SLC6A2 P23975 3/20 0.58
SLC6A3 Q01959 3/20 0.58
SLC6A4 P31645 2/20 0.58
MAPT P10636 2/20 0.54
PLA2G1B P04054 1/20 0.54
ATG4B Q9Y4P1 1/20 0.54
MRGPRX4 Q96LA9 2/20 0.52
TDP1 Q9NUW8 1/20 0.51
CYP2C9 P11712 1/20 0.50
TTR P02766 2/20 0.49
FFAR1 O14842 1/20 0.49
NR1I2 O75469 1/20 0.47
LMNA P02545 1/20 0.47
PGR P06401 1/20 0.47
HSP90AA1 P07900 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
HSPA5 P11021 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
Fenclofenac SCHEMBL25161 0.99 CHRM1 (1.00) CHRM1CXCL8CAMK2ASLC6A2SLC6A3
Fenclofenac SCHEMBL28279765 0.99 CHRM1 (1.00) CHRM1CXCL8CAMK2ASLC6A2SLC6A3
Fenclofenac SCHEMBL30509659 0.99 CHRM1 (1.00) CHRM1CXCL8CAMK2ASLC6A2SLC6A3
Fenclofenac SCHEMBL29438086 0.99 CHRM1 (1.00) CHRM1CXCL8CAMK2ASLC6A2SLC6A3
SCHEMBL8165686 0.88 CHRM1 (0.81) CHRM1CXCL8CAMK2ASLC6A2SLC6A3
SCHEMBL12608893 0.86 CHRM1 (0.77) CHRM1CXCL8CAMK2ASLC6A2SLC6A3
SCHEMBL11089474 0.85 CHRM1 (0.76) CHRM1CXCL8CAMK2ASLC6A2SLC6A3
Diclofenac SCHEMBL10779466 0.85 CHRM1 (0.74) CHRM1CXCL8CAMK2ASLC6A2SLC6A3
Fenbufen SCHEMBL1262211 0.84 CHRM1 (0.72) CHRM1CXCL8CAMK2ASLC6A2SLC6A3
SCHEMBL4090952 0.83 CHRM1 (0.73) CHRM1CXCL8CAMK2ASLC6A2SLC6A3

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-5173287-A Carboxylic acid compositions WYETH 1992-12-22 US disclosed
EP-0078477-B1 FENCLOFENAC AS TBP BLOCKING AGENT IN IODOTHYRONINE IMMUNOASSAYS MILES LABORATORIES, INC. (US) 1986-09-10 EP disclosed
US-4468469-A Substituted phenylacetic acids and salts as TBP blocking agents in iodothyronine immunoassays MILES LABORATORIES, INC. (US) 1984-08-28 US disclosed
EP-0078477-A2 Fenclofenac as TBP blocking agent in iodothyronine immunoassays MILES LABORATORIES, INC. (US) 1983-05-11 EP disclosed