SCHEMBL7120784

SCHEMBL7120784

C=C(C)C(=O)OCCCCCCC1(CCCCCCOC(=O)C(=C)C)C2(C(=O)O)CC3(C)CC(C)(C2)CC1(C(=O)O)C3

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
POLB P06746 1/20 0.41
APEX1 P27695 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
THRB P10828 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL7132587 1.00 TSHR (0.48) TSHRPOLBAPEX1HTTTDP1
SCHEMBL7132580 0.81 TSHR (0.47) TSHRPOLBAPEX1HTTTDP1
SCHEMBL7130202 0.81 TSHR (0.47) TSHRPOLBAPEX1HTTTDP1
SCHEMBL7121885 0.79 TSHR (0.44) TSHRPOLBAPEX1HTTTDP1
SCHEMBL7797303 0.75 TSHR (0.53) TSHRPOLBAPEX1HTTTDP1
SCHEMBL7797327 0.75 TSHR (0.53) TSHRPOLBAPEX1HTTTDP1
SCHEMBL7797307 0.73 SMN1; SMN2 (0.51) TSHRPOLBAPEX1HTTTDP1
SCHEMBL22023212 0.72 TSHR (0.83) TSHRPOLBAPEX1HTTTDP1
SCHEMBL22554413 0.72 TSHR (0.83) TSHRPOLBAPEX1HTTTDP1
SCHEMBL22554429 0.72 TSHR (0.83) 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