SCHEMBL7125425

SCHEMBL7125425

C=C(C)C(=O)OCCC1(CCOC(=O)C(=C)C)C2(C(=O)O)CC3CC(C2)CC1(C(=O)O)C3

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.38
TSHR P16473 3/20 0.37
ALDH1A1 P00352 4/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL7129270 0.92 TSHR (0.42) THRBTSHRALDH1A1MEN1KMT2A
SCHEMBL7121885 0.91 TSHR (0.44) THRBTSHRALDH1A1MEN1KMT2A
SCHEMBL7130202 0.89 TSHR (0.47) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL7132580 0.89 TSHR (0.47) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL7129749 0.79 TSHR (0.43) TSHRALDH1A1
SCHEMBL7132426 0.79 ALDH1A1 (0.33) TSHRALDH1A1
SCHEMBL17928898 0.78 MEN1 (0.47) THRBTSHRALDH1A1MEN1KMT2A
SCHEMBL5001405 0.77 MEN1 (0.56) THRBTSHRALDH1A1MEN1KMT2A
SCHEMBL18844159 0.75 THRB (0.36) THRBTSHRALDH1A1MEN1KMT2A
SCHEMBL7125323 0.75 TSHR (0.45) THRBTSHRALDH1A1

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-6670499-B1 Bis-Methacryloyloxy-adamantanedicarboxylate derivatives; raw materials for dental materials and lenses; transparency, luster, hardness, water resistance DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2003-12-30 US disclosed