SCHEMBL29956887

SCHEMBL29956887

CCNC(=O)C(C)Oc1cc(C=O)ccc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.58
SMN1; SMN2 Q16637 6/20 0.54
TSHR P16473 1/20 0.53
FDPS P14324 1/20 0.47
HPGD P15428 3/20 0.46
AOX1 Q06278 1/20 0.46
TRIM24 O15164 1/20 0.46
ALDH5A1 P51649 1/20 0.46
ABAT P80404 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TRIM33 Q9UPN9 1/20 0.46
POLB P06746 1/20 0.45
NFE2L2 Q16236 1/20 0.45
LMNA P02545 2/20 0.44
ATM Q13315 1/20 0.44
MAPT P10636 2/20 0.43
CYP1A2 P05177 1/20 0.43
HSP90AA1 P07900 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL29951719 0.95 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2TSHRFDPSHPGD
SCHEMBL15331833 0.90 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2TSHRFDPSHPGD
SCHEMBL2558879 0.86 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2TSHRFDPSHPGD
SCHEMBL2555033 0.86 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2TSHRFDPSHPGD
SCHEMBL2559490 0.86 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2HPGDTDP1LMNA
SCHEMBL15330014 0.85 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2TSHRFDPSHPGD
SCHEMBL15331074 0.85 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2TSHRFDPSHPGD
SCHEMBL15331683 0.85 SMN1; SMN2 (0.72) ALDH1A1SMN1; SMN2TSHRHPGDLMNA
SCHEMBL2556399 0.84 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2TSHRFDPSHPGD
SCHEMBL2560897 0.83 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2TSHRFDPSHPGD

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