SCHEMBL29951786

SCHEMBL29951786

CCCCNC(=O)COc1ccc(OC)cc1C=O

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.66
RAB9A P51151 1/20 0.66
ALDH1A1 P00352 3/20 0.53
MTNR1A P48039 4/20 0.50
MTNR1B P49286 3/20 0.50
KMT2A Q03164 1/20 0.47
TSHR P16473 1/20 0.47
RECQL P46063 1/20 0.47
MAPT P10636 2/20 0.46
ATM Q13315 1/20 0.46
POLB P06746 1/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
PTGS2 P35354 1/20 0.45
HSD17B10 Q99714 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
SCHEMBL2554836 0.93 KDM4E (0.69) KDM4ERAB9AALDH1A1MTNR1AMTNR1B
SCHEMBL29953639 0.91 KDM4E (0.54) KDM4ERAB9AALDH1A1MTNR1AMTNR1B
SCHEMBL29952430 0.88 RAB9A (0.72) KDM4ERAB9AALDH1A1KMT2ATSHR
SCHEMBL15331584 0.87 RAB9A (0.64) KDM4ERAB9AALDH1A1KMT2ATSHR
SCHEMBL2553637 0.85 KDM4E (0.61) KDM4ERAB9AALDH1A1KMT2AMAPT
SCHEMBL29954513 0.84 NPSR1 (0.52) KDM4ERAB9AALDH1A1KMT2ATSHR
SCHEMBL15332397 0.83 KDM4E (0.56) KDM4ERAB9AALDH1A1MTNR1AMTNR1B
SCHEMBL2554953 0.82 KDM4E (0.71) KDM4ERAB9AALDH1A1KMT2AMAPT
SCHEMBL2556788 0.82 RAB9A (0.64) KDM4ERAB9AALDH1A1MTNR1AMTNR1B
SCHEMBL2560184 0.82 RAB9A (0.64) KDM4ERAB9AALDH1A1MTNR1AMTNR1B

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