SCHEMBL6829239

SCHEMBL6829239

CCCCC(=O)Oc1c(NCCCc2ccc(OS(C)(=O)=O)cc2)cccc1OC(C)C

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
STS P08842 3/20 0.38
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
RECQL P46063 1/20 0.35
KMT2A Q03164 1/20 0.35
PPARA Q07869 3/20 0.33
PPARG P37231 2/20 0.33
ALOX15 P16050 1/20 0.33
P2RX3 P56373 1/20 0.33

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
SCHEMBL6832979 0.90 STS (0.40) STS
SCHEMBL6834536 0.89 STS (0.39) STSKMT2APPARAPPARG
SCHEMBL6832055 0.81 MTNR1A (0.44)
SCHEMBL7069550 0.81 CA12 (0.40) STSKMT2APPARAPPARG
Water SCHEMBL5161066 0.81 HTR1A (0.38) STSMEN1KMT2APPARA
SCHEMBL6829303 0.81 PPARA (0.40) KMT2APPARAPPARG
SCHEMBL6832977 0.78 ENPP1 (0.44) STSMEN1KMT2A
SCHEMBL7115003 0.76 CA12 (0.38) STSRECQLKMT2APPARAPPARG
SCHEMBL6832494 0.75 CA12 (0.41) STSMEN1KMT2APPARAPPARG
SCHEMBL6832486 0.73 TOP2A (0.39) STSKDM4EMEN1RECQLKMT2A

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
EP-1453795-A2 ESTERS AND AMIDES AS PPAR-ALPHA AGONISTS Dr. Reddy's Laboratories Ltd. (IN) 2004-09-08 EP claimed
WO-2003048116-A2 ESTERS AND AMIDES AS PPAR-ALPHA AGONISTS ____________ DR. REDDY'S LABORATORIES LTD. (IN) 2003-06-12 WO claimed
EP-1453795-A2 ESTERS AND AMIDES AS PPAR-ALPHA AGONISTS Dr. Reddy's Laboratories Ltd. (IN) 2004-09-08 EP disclosed
WO-2003048116-A2 ESTERS AND AMIDES AS PPAR-ALPHA AGONISTS ____________ DR. REDDY'S LABORATORIES LTD. (IN) 2003-06-12 WO disclosed