SCHEMBL3311296

SCHEMBL3311296

CCOC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2nc(C)ccc2c1-c1ccc(C)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 3/20 0.48
KDM4E B2RXH2 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 3/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PRNP P04156 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
SMYD3 Q9H7B4 1/20 0.32
PKM P14618 1/20 0.32
TARBP2 Q15633 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA1 P30542 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
SCHEMBL245483 0.92 PSIP1 (0.40) PSIP1KDM4EL3MBTL1MEN1KMT2A
SCHEMBL3300974 0.92 PSIP1 (0.40) PSIP1KDM4EL3MBTL1MEN1KMT2A
SCHEMBL245279 0.92 PSIP1 (0.42) PSIP1KDM4EL3MBTL1MEN1KMT2A
SCHEMBL3321821 0.87 PSIP1 (0.44) PSIP1KDM4EL3MBTL1MEN1KMT2A
SCHEMBL3298653 0.83 PSIP1 (0.34) PSIP1KDM4EL3MBTL1MEN1KMT2A
SCHEMBL10283942 0.83 PSIP1 (0.34) PSIP1KDM4EL3MBTL1MEN1KMT2A
SCHEMBL3300978 0.82 PSIP1 (0.39) PSIP1KDM4EMEN1KMT2AALDH1A1
SCHEMBL243592 0.82 PSIP1 (0.41) PSIP1KDM4EMEN1KMT2AALDH1A1
SCHEMBL243591 0.82 PSIP1 (0.41) PSIP1KDM4EMEN1KMT2AALDH1A1
SCHEMBL3298740 0.82 PSIP1 (0.39) PSIP1KDM4EL3MBTL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012003498-A1 2 -QUINOLINYL- ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-01-05 WO disclosed