SCHEMBL3455041

SCHEMBL3455041

C=CCOc1ccc(C[C]=O)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.44
PPARD Q03181 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
GLA P06280 1/20 0.40
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
PPOX P50336 4/20 0.38
CSNK2A1 P68400 2/20 0.38
HTR2C P28335 4/20 0.37
HTR2A P28223 3/20 0.37
NPC1 O15118 2/20 0.37
HPGD P15428 2/20 0.37
RAB9A P51151 2/20 0.37
TP53 P04637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
S1PR4 O95977 1/20 0.36
HTR2B P41595 2/20 0.35

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
SCHEMBL11410920 0.81 GAA (0.47) GAATSHRPPARDSMN1; SMN2GLA
SCHEMBL2523355 0.81 GAA (0.45) GAATSHRPPARDSMN1; SMN2GLA
SCHEMBL2523426 0.80 NPC1 (0.52) GAATSHRPPARDSMN1; SMN2GLA
SCHEMBL16341129 0.80 GAA (0.48) GAATSHRPPARDSMN1; SMN2GLA
SCHEMBL13922744 0.80 CSNK2A1 (0.47) GAATSHRSMN1; SMN2GLAADRA2A
Alclofenac SCHEMBL10600369 0.78 PPARD (0.62) GAATSHRPPARDSMN1; SMN2NPC1
Alclofenac SCHEMBL25703 0.78 PPARD (0.62) GAATSHRPPARDSMN1; SMN2NPC1
SCHEMBL11013101 0.78 GAA (0.50) GAATSHRPPARDSMN1; SMN2ADRA2A
Alclofenac SCHEMBL29350515 0.78 PPARD (0.62) GAATSHRPPARDSMN1; SMN2NPC1
SCHEMBL10977759 0.77 CSNK2A1 (0.65) TSHRSMN1; SMN2GLACSNK2A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009124371-A9 NOVEL COMPOUNDS DERIVED FROM TAURINE, PROCESS OF THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE EMS S. A. (BR) 2010-12-02 WO claimed
WO-2009124371-A2 NOVEL COMPOUNDS DERIVED FROM TAURINE, PROCESS OF THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE EMS S. A. (BR) 2009-10-15 WO claimed
US-4505898-A ANTIINFLAMMATORY AGENTS; OLIGOPEPTIDES BERK PHARMACEUTICAS LTD. (GB) 1985-03-19 US claimed
US-4452783-A ANTIINFLAMMATORY AGENTS, POLYPEPTIDES BERK PHARMACEUTICAS LTD. (GB) 1984-06-05 US claimed
US-4014997-A ANTIINFLAMMATORY AGENTS ABBOTT LABORATORIES (US) 1977-03-29 US claimed
US-3988446-A Glycerides with anti-inflammatory properties ABBOTT LABORATORIES (US) 1976-10-26 US claimed
US-4546106-A ANTIARTHRITIC AGENTS MERCK & CO., INC. (US) 1985-10-08 US disclosed
US-4505898-A ANTIINFLAMMATORY AGENTS; OLIGOPEPTIDES BERK PHARMACEUTICAS LTD. (GB) 1985-03-19 US disclosed
US-4452783-A ANTIINFLAMMATORY AGENTS, POLYPEPTIDES BERK PHARMACEUTICAS LTD. (GB) 1984-06-05 US disclosed
US-4452783-A ANTIINFLAMMATORY AGENTS, POLYPEPTIDES BERK PHARMACEUTICAS LTD. (GB) 1984-06-05 US disclosed
US-4355034-A Ethenyl derivatives of mercaptoalkylpyridines as anti-inflammatory agents MERCK & CO., INC. (US) 1982-10-19 US disclosed
US-4217352-A ANTIARTHRITIC AGENT MERCK & CO., INC. (US) 1980-08-12 US disclosed
US-4212976-A ANTIARTHRITIC AGENTS MERCK & CO., INC. (US) 1980-07-15 US disclosed
US-4144342-A ANTIARTHRITIC AND ANTIINFLAMMATORY AGENTS MERCK & CO., INC. (US) 1979-03-13 US disclosed
US-4061759-A ANTIINFLAMMATORY, ARTHRITIS MERCK & CO., INC. (US) 1977-12-06 US disclosed
US-4057637-A RHEUMATOID ARTHRITIS MERCK & CO., INC. (US) 1977-11-08 US disclosed
US-3971797-A ANTIARTHRITIC MERCK & CO., INC. (US) 1976-07-27 US disclosed