SCHEMBL11212102

SCHEMBL11212102

C=CCN1C(C)(C)CC(OC(=O)CCn2c(=O)n(CCC(=O)OC3CC(C)(C)N(CC=C)C(C)(C)C3)c(=O)n(CCC(=O)OC3CC(C)(C)N(CC=C)C(C)(C)C3)c2=O)CC1(C)C

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.34
CYP3A4 P08684 1/20 0.33
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
APAF1 O14727 1/20 0.32
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TP53 P04637 1/20 0.32
ALDH1A1 P00352 1/20 0.30
TSHR P16473 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
SCHEMBL11034077 0.84 NAAA (0.39) MEN1KMT2AGAALMNATP53
SCHEMBL11033839 0.83 NAAA (0.41) MEN1KMT2AGAALMNAALDH1A1
SCHEMBL11211614 0.83 KMT2A (0.38) MEN1KMT2AGAAKDM4ELMNA
SCHEMBL11401702 0.81 TSHR (0.31) MEN1KMT2AGAAMAPTKDM4E
SCHEMBL11217891 0.81 NAAA (0.38) MEN1KMT2AGAATP53
SCHEMBL11213025 0.79 KMT2A (0.38) MEN1KMT2AGAAKDM4ELMNA
SCHEMBL11213916 0.79 NAAA (0.42) MEN1KMT2AGAAALDH1A1
SCHEMBL11157549 0.79 NAAA (0.50) LMNAALDH1A1TSHR
SCHEMBL11217915 0.77 KMT2A (0.41) MEN1KMT2AGAACYP3A4MAPT
SCHEMBL11217901 0.76 GAA (0.44) MEN1KMT2AGAAKDM4ELMNA

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
US-4317911-A LIGHT STABILIZERS FOR POLYMERS CIBA-GEIGY CORPORATION (US) 1982-03-02 US disclosed