SCHEMBL7121885

SCHEMBL7121885

C=C(C)C(=O)OCCCCC1(CCCCOC(=O)C(=C)C)C2(C(=O)O)CC3CC(C2)CC1(C(=O)O)C3

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
THRB P10828 1/20 0.36
ALDH1A1 P00352 1/20 0.34
EPHX2 P34913 2/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL7130202 0.99 TSHR (0.47) TSHRPOLBAPEX1HTTTDP1
SCHEMBL7132580 0.99 TSHR (0.47) TSHRPOLBAPEX1HTTTDP1
SCHEMBL7129270 0.96 TSHR (0.42) TSHRPOLBAPEX1HTTTDP1
SCHEMBL7125425 0.91 THRB (0.38) TSHRPOLBAPEX1HTTTDP1
SCHEMBL7120784 0.79 TSHR (0.48) TSHRPOLBAPEX1HTTTDP1
SCHEMBL7132587 0.79 TSHR (0.48) TSHRPOLBAPEX1HTTTDP1
SCHEMBL18822998 0.78 TSHR (0.53) TSHRPOLBAPEX1HTTTDP1
SCHEMBL7129749 0.75 TSHR (0.43) TSHRALDH1A1
SCHEMBL7132426 0.75 ALDH1A1 (0.33) TSHRALDH1A1
SCHEMBL3407069 0.74 TSHR (0.47) TSHRPOLBAPEX1HTTTDP1

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