SCHEMBL9680708

SCHEMBL9680708

COc1ccccc1C(=O)N(CC(=O)Nc1c(C(C)C)cccc1C(C)C)C(c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 2/20 0.49
KCNK3 O14649 1/20 0.48
KCNK9 Q9NPC2 1/20 0.48
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
SOAT2 O75908 1/20 0.43
SOAT1 P35610 1/20 0.43
KCNA3 P22001 1/20 0.42

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
SCHEMBL9678925 0.89 LPAR1 (0.49) LPAR1KCNK3KCNK9MEN1KMT2A
SCHEMBL9680252 0.85 LPAR1 (0.58) LPAR1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL9678803 0.84 KMT2A (0.50) MEN1KMT2ASMN1; SMN2SOAT2SOAT1
SCHEMBL9681037 0.83 KMT2A (0.47) MEN1KMT2ASMN1; SMN2SOAT2SOAT1
SCHEMBL9679644 0.82 KMT2A (0.44) MEN1KMT2ASMN1; SMN2SOAT2SOAT1
SCHEMBL9851048 0.82 KMT2A (0.54) MEN1KMT2ASMN1; SMN2SOAT2SOAT1
SCHEMBL9680221 0.79 KMT2A (0.49) MEN1KMT2ASMN1; SMN2SOAT2SOAT1
SCHEMBL9679675 0.76 KMT2A (0.43) MEN1KMT2ASMN1; SMN2ALDH1A1SOAT2
SCHEMBL9851004 0.75 KMT2A (0.51) LPAR1MEN1KMT2ASMN1; SMN2SOAT2
SCHEMBL9680196 0.74 KMT2A (0.45) MEN1KMT2ASMN1; SMN2SOAT2SOAT1

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-0415413-A1 Acat inhibitors WARNER-LAMBERT COMPANY (US) 1991-03-06 EP claimed
US-5153226-A Administering as anticholesterol agents, for atherosclerosis WARNER-LAMBERT COMPANY (US) 1992-10-06 US disclosed
EP-0415413-A1 Acat inhibitors WARNER-LAMBERT COMPANY (US) 1991-03-06 EP disclosed