SCHEMBL29956675

SCHEMBL29956675

O=Cc1cccc(OCC(=O)NC2CC2)c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.61
HTT P42858 1/20 0.61
RAB9A P51151 1/20 0.61
SMN1; SMN2 Q16637 4/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2C19 P33261 1/20 0.60
LMNA P02545 4/20 0.55
ATF4 P18848 1/20 0.55
ALDH1A1 P00352 3/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ROCK2 O75116 1/20 0.49
ROCK1 Q13464 1/20 0.49
CNR2 P34972 1/20 0.49
POLB P06746 1/20 0.49
CNR1 P21554 1/20 0.49
MAPK1 P28482 1/20 0.49

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
SCHEMBL29953623 0.95 SMN1; SMN2 (0.67) HPGDHTTRAB9ASMN1; SMN2CYP1A2
SCHEMBL29958458 0.94 SMN1; SMN2 (0.70) HPGDHTTRAB9ASMN1; SMN2CYP1A2
SCHEMBL2555225 0.91 CYP1A2 (0.54) HPGDHTTRAB9ASMN1; SMN2CYP1A2
SCHEMBL29953444 0.87 CNR2 (0.59) HPGDHTTRAB9ASMN1; SMN2CYP1A2
SCHEMBL29952903 0.83 ALDH1A1 (0.71) HPGDHTTRAB9ASMN1; SMN2LMNA
SCHEMBL29950838 0.82 SMN1; SMN2 (0.49) HPGDSMN1; SMN2CYP1A2CYP3A4CYP2C19
SCHEMBL15638454 0.81 RAB9A (0.67) HPGDHTTRAB9ASMN1; SMN2CYP1A2
SCHEMBL12629119 0.81 CYP1A2 (0.66) HPGDHTTRAB9ASMN1; SMN2CYP1A2
SCHEMBL15272377 0.81 HPGD (0.64) HPGDHTTRAB9ASMN1; SMN2CYP1A2
SCHEMBL15329632 0.80 ALDH1A1 (0.58) HTTRAB9ASMN1; SMN2ALDH1A1KMT2A

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