SCHEMBL29954062

SCHEMBL29954062

CC(Oc1ccccc1C=O)C(=O)NC1CC1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.62
MAPT P10636 1/20 0.50
HTT P42858 1/20 0.50
TSHR P16473 1/20 0.44
SSTR4 P31391 1/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
KDM1A O60341 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL29956063 0.95 HPGD (0.70) HPGDMAPTHTTTSHRKDM4E
SCHEMBL29952571 0.84 HPGD (0.50) HPGDMAPTHTTKDM4EGAA
SCHEMBL15331013 0.82 HPGD (0.52) HPGDTSHRKDM4EALDH1A1GAA
SCHEMBL15331058 0.81 LMNA (0.50) HPGDHTTTSHRADRA2AADRA2B
SCHEMBL29953044 0.81 SMYD3 (0.47) HPGDMAPTHTTKDM4EALDH1A1
SCHEMBL29955473 0.81 ALDH1A1 (0.50) HPGDMAPTHTTKDM4EALDH1A1
SCHEMBL8470131 0.81 HPGD (0.41) HPGDMAPTHTTADRA2AADRA2B
SCHEMBL2562943 0.80 ALDH1A1 (0.46) HPGDHTTTSHRADRA2AADRA2B
SCHEMBL15332624 0.80 HPGD (0.54) HPGDMAPTHTTTSHRALDH1A1
SCHEMBL2557678 0.78 LMNA (0.47) HPGDHTTTSHRADRA2AADRA2B

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