SCHEMBL14409133

SCHEMBL14409133

C=C(C)C(=O)OCCNC(=O)OCC1(C)CC2C=CC1C2

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
ATM Q13315 1/20 0.32
THRB P10828 1/20 0.31
TSHR P16473 2/20 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
SCHEMBL13201201 0.76 MEN1 (0.33) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL13025197 0.75 CYP2D6 (0.36) ALDH1A1MAPT
SCHEMBL19628850 0.73 KMT2A (0.54) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL5355018 0.73 CYP2D6 (0.35)
SCHEMBL13201194 0.71 ALDH1A1 (0.34) MEN1KMT2AALDH1A1THRBTSHR
SCHEMBL25666396 0.71 MEN1 (0.33) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL13872030 0.70 THRB (0.53) L3MBTL1ALDH1A1THRBTSHR
SCHEMBL2403793 0.70 THRB (0.53) L3MBTL1ALDH1A1THRBTSHR
SCHEMBL5348568 0.70 CYP2D6 (0.35)
SCHEMBL25433904 0.69 THRB (0.35) ALDH1A1THRBTSHR

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-7271223-B2 Norbomene compounds with cross-linkable groups and their derivatives NATIONAL TAIWAN UNIVERSITY OF SCIENCE & TECHNOLOGY (TW) 2007-09-18 US disclosed
US-20070073018-A1 Norbornene compounds with cross-linkable groups and their derivatives LIAW DER-JANG 2007-03-29 US disclosed