SCHEMBL6832977

SCHEMBL6832977

CCCCC(=O)Oc1c(NCCCc2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)cccc1OCC

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 1/20 0.44
KMT2A Q03164 5/20 0.39
THRB P10828 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GAA P10253 1/20 0.36
STS P08842 2/20 0.36
ALDH1A1 P00352 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 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
SCHEMBL6832568 0.93 ENPP1 (0.44) ENPP1KMT2ATHRBTDP1GAA
SCHEMBL6834536 0.88 STS (0.39) KMT2ATDP1GAASTSCA12
SCHEMBL6832979 0.80 STS (0.40) STS
SCHEMBL7069550 0.80 CA12 (0.40) KMT2ATDP1GAASTSALDH1A1
SCHEMBL6829303 0.80 PPARA (0.40) KMT2A
SCHEMBL6829239 0.78 STS (0.38) KMT2ASTSMEN1
SCHEMBL7115003 0.75 CA12 (0.38) KMT2ATDP1GAASTSALDH1A1
SCHEMBL6832494 0.74 CA12 (0.41) KMT2ATDP1STSALDH1A1CA12
SCHEMBL6832055 0.72 MTNR1A (0.44)
SCHEMBL6829427 0.71 MTNR1A (0.43) KMT2ACA1CA2CA9

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