SCHEMBL6796420

SCHEMBL6796420

COC(OC)(OC(c1ccccc1)(c1ccccc1)c1ccccc1)[C@@H]1C[C@@H](O)CN1C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FABP5 Q01469 3/20 0.37
FABP7 O15540 2/20 0.35
MDM4 O15151 2/20 0.35
TP53 P04637 2/20 0.35
KMT2A Q03164 2/20 0.34
RIPK1 Q13546 1/20 0.33
MDM2 Q00987 2/20 0.33
OPRD1 P41143 1/20 0.33
F10 P00742 1/20 0.33
POLB P06746 1/20 0.33
CYP1A2 P05177 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
EPHX2 P34913 1/20 0.32

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
SCHEMBL6798554 1.00 FABP5 (0.37) FABP5FABP7MDM4TP53KMT2A
SCHEMBL8663156 0.86 KMT2A (0.44) MDM4TP53KMT2AMDM2OPRD1
SCHEMBL8729183 0.84 LMNA (0.39) FABP5FABP7MDM4TP53KMT2A
SCHEMBL6853795 0.84 LMNA (0.39) FABP5FABP7MDM4TP53KMT2A
SCHEMBL8729229 0.84 LMNA (0.39) FABP5FABP7MDM4TP53KMT2A
SCHEMBL8660413 0.84 POLB (0.46) POLB
SCHEMBL6802273 0.83 MDM4 (0.34) FABP5FABP7MDM4TP53OPRD1
SCHEMBL6856330 0.82 FABP5 (0.33) FABP5FABP7MDM4TP53
SCHEMBL8660376 0.79 RIPK1 (0.37) KMT2ARIPK1
SCHEMBL6858060 0.79 FABP5 (0.37) FABP5FABP7MDM4TP53KMT2A

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-6750344-B1 MONOCYCLIC AMINE SCAFFOLD BEARING AT LEAST TWO SITES OF DIVERSITY, CYCLIZED TO FORM BICYCLIC AMINE SCAFFOLDS; 7-AMINO-PYRROLO(1,2-A)PYRAZIN-4-ONE COMPOUNDS ISIS PHARMACEUTICALS, INC. 2004-06-15 US disclosed
US-6316626-B1 Amine compounds and combinatorial libraries comprising same ISIS PHARMACEUTICALS, INC. 2001-11-13 US disclosed
WO-1999012034-A1 AMINE COMPOUNDS AND COMBINATORIAL LIBRARIES COMPRISING SAME ISIS PHARMACEUTICALS, INC. (US) 1999-03-11 WO disclosed