SCHEMBL17359485

SCHEMBL17359485

CC/N=c1\ccc2c(-c3ccc(C)cc3C(=O)O)c3ccc(N(CC)CC)cc3oc-2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ USP2 O75604 2/20 0.42
▸ POLB P06746 2/20 0.42
▸ PPARG P37231 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ NCOR2 Q9Y618 1/20 0.42
▸ ALDH1A1 P00352 8/20 0.41
▸ KDM4E B2RXH2 7/20 0.41
▸ HPGD P15428 4/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ SLC16A3 O15427 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ SLC16A1 P53985 1/20 0.41
▸ L3MBTL1 Q9Y468 5/20 0.40
▸ GLA P06280 4/20 0.39
▸ ATM Q13315 3/20 0.39
▸ CASP1 P29466 2/20 0.39

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
SCHEMBL17517217 0.90 TGM2 (0.42) MEN1KMT2AUSP2POLBPPARG
SCHEMBL15100483 0.90 TGM2 (0.42) MEN1KMT2AUSP2POLBPPARG
Hydrochloric Acid SCHEMBL11336327 0.89 TGM2 (0.42) MEN1KMT2AUSP2POLBPPARG
SCHEMBL11964672 0.83 MEN1 (0.60) MEN1KMT2AUSP2POLBPPARG
SCHEMBL12103999 0.83 MEN1 (0.43) MEN1KMT2AUSP2POLBPPARG
SCHEMBL22851948 0.83 MAOB (0.45) MEN1KMT2AUSP2POLBPPARG
SCHEMBL14597230 0.82 P2RY6 (0.48) MEN1KMT2AUSP2BLMSLC16A3
SCHEMBL13577577 0.82 P2RY6 (0.48) MEN1KMT2AUSP2BLMSLC16A3
SCHEMBL18084345 0.82 FPR2 (0.43) MEN1KMT2AUSP2POLBPPARG
SCHEMBL15100480 0.82 ABCB1 (0.53) MEN1KMT2AUSP2POLBPPARG

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-20150368407-A1 NESTED SUPRAMOLECULAR CAPSULES CAMBRIDGE ENTERPRISE LIMITED (GB) 2015-12-24 — — US disclosed
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