SCHEMBL6049355

SCHEMBL6049355

CC(C)(C)Cc1cccc(OCCC(Cl)I)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ GGPS1 O95749 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ PLA2G4B P0C869 1/20 0.36
▸ NR1H2 P55055 4/20 0.35
▸ NR1H3 Q13133 4/20 0.35
▸ DHFR P00374 1/20 0.34
▸ CHRNB2 P17787 1/20 0.34
▸ CHRNA4 P43681 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL6049335 0.86 L3MBTL1 (0.39) MAPK1L3MBTL1TSHRTDP1GGPS1
SCHEMBL12866793 0.80 GGPS1 (0.50) MAPK1L3MBTL1TSHRTDP1GGPS1
SCHEMBL10224056 0.79 GGPS1 (0.46) MAPK1L3MBTL1TSHRGGPS1PLA2G4B
SCHEMBL6049352 0.78 KCNH2 (0.43) MAPK1L3MBTL1TSHRTDP1NR1H2
SCHEMBL10224068 0.77 GGPS1 (0.48) MAPK1TSHRGGPS1KDM4EALDH1A1
SCHEMBL12775663 0.77 ALDH1A1 (0.48) MAPK1L3MBTL1TSHRTDP1GGPS1
SCHEMBL10223981 0.77 GGPS1 (0.42) MAPK1L3MBTL1TSHRTDP1GGPS1
SCHEMBL12775724 0.75 TP53 (0.56) MAPK1TSHRGGPS1KDM4EALDH1A1
SCHEMBL16841500 0.75 GGPS1 (0.41) TSHRGGPS1KDM4EALDH1A1SMN1; SMN2
SCHEMBL278395 0.74 FAAH (0.42) GGPS1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539136-A4 PPAR ALPHA SELECTIVE COMPOUNDS FOR THE TREATMENT OF DYSLIPIDEMIA AND OTHER LIPID DISORDERS MERCK & CO INC (US) 2006-10-18 — — EP disclosed
EP-1539136-A2 PPAR ALPHA SELECTIVE COMPOUNDS FOR THE TREATMENT OF DYSLIPIDEMIA AND OTHER LIPID DISORDERS Merck & Co., Inc. (US) 2005-06-15 — — EP disclosed
WO-2004010936-A2 PPAR ALPHA SELECTIVE COMPOUNDS FOR THE TREATMENT OF DYSLIPIDEMIA AND OTHER LIPID DISORDERS MERCK & CO., INC. (US) 2004-02-05 — — WO disclosed
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