SCHEMBL29954418

SCHEMBL29954418

COc1cccc(C=O)c1OCC(=O)NC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.57
▸ SRC P12931 1/20 0.52
▸ ALDH1A1 P00352 3/20 0.47
▸ LMNA P02545 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ HPGD P15428 1/20 0.46
▸ NFE2L2 Q16236 2/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ TLR2 O60603 1/20 0.46
▸ ERN1 O75460 1/20 0.46
▸ TLR1 Q15399 1/20 0.46
▸ TLR6 Q9Y2C9 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ GAA P10253 1/20 0.45
▸ CYP2D6 P10635 2/20 0.45
▸ CYP2C19 P33261 2/20 0.45
▸ CASP3 P42574 1/20 0.45
▸ SENP8 Q96LD8 1/20 0.45
▸ SENP7 Q9BQF6 1/20 0.45

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
SCHEMBL20150988 0.85 SRC (0.56) POLBSRCALDH1A1LMNAMAPT
SCHEMBL2555240 0.85 SRC (0.56) POLBSRCALDH1A1LMNAHPGD
SCHEMBL29952197 0.83 ALDH1A1 (0.56) POLBSRCALDH1A1MAPTHPGD
SCHEMBL29951938 0.82 PTGDR2 (0.60) POLBALDH1A1LMNAMAPTL3MBTL1
SCHEMBL2553815 0.82 SRC (0.52) POLBSRCALDH1A1LMNAHPGD
SCHEMBL2555444 0.82 SRC (0.52) POLBSRCALDH1A1LMNAHPGD
SCHEMBL2556798 0.81 HSD17B10 (0.53) POLBSRCALDH1A1MAPTHPGD
SCHEMBL20150700 0.81 SRC (0.51) POLBSRCALDH1A1LMNAMAPT
SCHEMBL2554736 0.81 PTGDR2 (0.62) POLBSRCLMNAL3MBTL1NFE2L2
SCHEMBL15330855 0.80 HPGD (0.55) POLBSRCMAPTL3MBTL1HPGD

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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