SCHEMBL29958276

SCHEMBL29958276

OB(O)c1ccc(COCCc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 6/20 0.48
▸ LPL P06858 2/20 0.47
▸ LIPG Q9Y5X9 2/20 0.47
▸ TSHR P16473 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ CA1 P00915 3/20 0.44
▸ CA2 P00918 3/20 0.44
▸ ENPP2 Q13822 2/20 0.43
▸ CA4 P22748 1/20 0.43
▸ CA6 P23280 1/20 0.43
▸ CA5A P35218 1/20 0.43
▸ CA7 P43166 1/20 0.43
▸ CA14 Q9ULX7 1/20 0.43
▸ CA5B Q9Y2D0 1/20 0.43
▸ MGLL Q99685 1/20 0.42

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
SCHEMBL8124493 1.00 TRPV1 (0.48) TRPV1LPLLIPGTSHRTDP1
SCHEMBL178228 0.87 TSHR (0.62) TRPV1LPLLIPGTSHRCA1
SCHEMBL15330406 0.83 ENPP2 (0.58) LPLLIPGTSHRTDP1L3MBTL1
SCHEMBL1066576 0.83 TSHR (0.67) TSHRTDP1L3MBTL1CA1CA2
SCHEMBL14503417 0.83 ORAI1 (0.54) TSHRTDP1L3MBTL1
SCHEMBL6744772 0.82 ESR1 (0.54) TSHRTDP1L3MBTL1CA2
SCHEMBL1837574 0.82 ESR1 (0.54) TSHRTDP1L3MBTL1CA2
SCHEMBL21571498 0.81 LPL (0.50) TRPV1LPLLIPGTSHRCA1
SCHEMBL6869828 0.81 LPL (0.61) TRPV1LPLLIPGCA1CA2
Water SCHEMBL28780406 0.81 TSHR (0.64) TSHRTDP1L3MBTL1CA1CA2

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
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