SCHEMBL29951679

SCHEMBL29951679

CCOc1cccc(C=O)c1OCC(=O)NC1CC1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.50
TSHR P16473 2/20 0.50
HSD17B10 Q99714 1/20 0.50
GAA P10253 1/20 0.47
ALDH1A1 P00352 4/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
RAB9A P51151 1/20 0.43
ATF4 P18848 1/20 0.43
LDHA P00338 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 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
SCHEMBL29950864 0.89 ALDH1A1 (0.57) HPGDTSHRHSD17B10GAAALDH1A1
SCHEMBL2556276 0.84 ALDH1A1 (0.44) HPGDGAAALDH1A1KMT2AMEN1
SCHEMBL2553617 0.83 ALDH1A1 (0.47) HPGDTSHRHSD17B10GAAALDH1A1
SCHEMBL15330673 0.81 SMN1; SMN2 (0.54) HPGDALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL29952949 0.81 HPGD (0.66) HPGDTSHRHSD17B10ALDH1A1KMT2A
SCHEMBL15333167 0.81 ALDH1A1 (0.48) HPGDTSHRHSD17B10ALDH1A1KMT2A
SCHEMBL2557685 0.81 SMN1; SMN2 (0.45) GAAALDH1A1KMT2AMEN1POLB
SCHEMBL2561415 0.81 SMN1; SMN2 (0.47) GAAALDH1A1KMT2AMEN1POLB
SCHEMBL20150682 0.80 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1L3MBTL1RAB9A
SCHEMBL9248575 0.79 PTGDR2 (0.60) HPGDALDH1A1KMT2AMEN1POLB

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