SCHEMBL11401702

SCHEMBL11401702

C=CCN1C(C)(C)CC(OC(=O)CC(=O)OC2CC(C)(C)N(CC=C)C(C)(C)C2)CC1(C)C

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.31
KMT2A Q03164 2/20 0.31
LMNA P02545 2/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
APAF1 O14727 1/20 0.30
MAPT P10636 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
HTT P42858 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 0.88 NAAA (0.39) TSHRKMT2ALMNAMEN1ALDH1A1
SCHEMBL11033839 0.87 NAAA (0.41) TSHRKMT2ALMNAMEN1ALDH1A1
SCHEMBL11367464 0.85 TSHR (0.35) TSHRKMT2AMEN1ALDH1A1GAA
SCHEMBL68167 0.84 TSHR (0.31) TSHRKMT2AGAAHTT
SCHEMBL11157549 0.82 NAAA (0.50) TSHRLMNAALDH1A1
SCHEMBL11838232 0.81
SCHEMBL11212102 0.81 MEN1 (0.34) TSHRKMT2ALMNAKDM4EMEN1
SCHEMBL11838219 0.80
SCHEMBL11172934 0.80
SCHEMBL11177345 0.80

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-4293468-A Malonate derivatives as stabilizers for organic materials CIBA-GEIGY AG (CH) 1981-10-06 US disclosed