SCHEMBL8696790

SCHEMBL8696790

Cc1ccc(C(C)(C)C)c(SC2C(=O)OC(CCc3ccccc3)(c3ccccc3)CC2(O)OCCN2CCNCC2)c1

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.31
GAA P10253 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL8702736 0.92 ALDH1A1 (0.34) ALDH1A1MEN1KMT2A
SCHEMBL8697348 0.88
SCHEMBL8696669 0.86
SCHEMBL7999278 0.73 LTA4H (0.39) KDM4EGAAALDH1A1TP53MEN1
SCHEMBL7758845 0.65 LDHA (0.48)
SCHEMBL8008735 0.63 KCNA5 (0.37) ALDH1A1
SCHEMBL8416462 0.62 MGAT2 (0.35)
SCHEMBL8008687 0.61 LDHA (0.41)
SCHEMBL8010782 0.59 LDHA (0.38) GAA
SCHEMBL7074874 0.59 KDM4E (0.35) KDM4EGAAALDH1A1TP53MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5834506-A TREATMENT OF HIV, AIDS; ANTIVIRAL ACTIVITY IMPROVED BY JUDICIOUS PLACEMENT OF POLAR SUBSTITUENTS WARNER-LAMBERT COMPANY (US) 1998-11-10 US claimed
US-5834506-A TREATMENT OF HIV, AIDS; ANTIVIRAL ACTIVITY IMPROVED BY JUDICIOUS PLACEMENT OF POLAR SUBSTITUENTS WARNER-LAMBERT COMPANY (US) 1998-11-10 US disclosed