SCHEMBL9255348

SCHEMBL9255348

COCCOCOc1ccc(CN(CCC(C)(C)C)C(=O)Nc2c(F)cc(F)cc2OC)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 1/20 0.39
LPAR1 Q92633 5/20 0.37
LPAR5 Q9H1C0 5/20 0.37
TSHR P16473 2/20 0.35
HDAC1 Q13547 5/20 0.35
HDAC6 Q9UBN7 5/20 0.35
HDAC3 O15379 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HCRTR2 O43614 2/20 0.33
MAPT P10636 1/20 0.33
BAX Q07812 1/20 0.33
P2RX7 Q99572 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
SCHEMBL9252305 0.87 SOAT1 (0.47) SOAT1LPAR1LPAR5HDAC1HDAC6
SCHEMBL9259222 0.82 SOAT1 (0.47) SOAT1LPAR1LPAR5HDAC1HDAC6
SCHEMBL9260748 0.76 PPARG (0.39) SOAT1TSHRHDAC1HDAC6HDAC3
SCHEMBL9259382 0.73 SOAT1 (0.47) SOAT1LPAR1LPAR5TSHRHDAC1
SCHEMBL9256781 0.73 HDAC1 (0.50) SOAT1LPAR1LPAR5HDAC1HDAC6
SCHEMBL9784466 0.72 SOAT1 (0.68) SOAT1
SCHEMBL9577823 0.72 SOAT1 (0.43) SOAT1LPAR1LPAR5HDAC1HDAC6
SCHEMBL9256182 0.72 SOAT1 (0.43) SOAT1LPAR1LPAR5HDAC1HDAC6
SCHEMBL9260476 0.70 HDAC3 (0.39) LPAR1LPAR5HDAC1HDAC6HDAC3
SCHEMBL9252064 0.70 SOAT1 (0.42) SOAT1LPAR1LPAR5HDAC1HDAC6

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
US-5422373-A An alkoxybenzyl-alkylene-arylurea anticholesterol, antilipemic agents and enzyme inhibitors BURROUGHS WELLCOME CO. (US) 1995-06-06 US disclosed
EP-0550568-A1 ANTI-ATHEROSCLEROTIC ARYL COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1993-07-14 EP disclosed
WO-1992006075-A1 ANTI-ATHEROSCLEROTIC ARYL COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1992-04-16 WO disclosed