SCHEMBL29956370

SCHEMBL29956370

COc1ccc(OCC(=O)NCC2CC2)c(C=O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.61
RAB9A P51151 2/20 0.61
HPGD P15428 2/20 0.53
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
CNR1 P21554 2/20 0.49
CNR2 P34972 2/20 0.49
POLB P06746 3/20 0.49
FAAH O00519 1/20 0.48
ACHE P22303 1/20 0.48
PKM P14618 1/20 0.46
ALDH1A1 P00352 4/20 0.46
NPC1 O15118 1/20 0.45
GBA1 P04062 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL29950755 0.91 HPGD (0.53) KDM4ERAB9AHPGDMEN1KMT2A
SCHEMBL29952430 0.84 RAB9A (0.72) KDM4ERAB9AHPGDMEN1KMT2A
SCHEMBL15330124 0.84 RAB9A (0.63) KDM4ERAB9AHPGDPOLBALDH1A1
SCHEMBL29952717 0.83 KDM4E (0.64) KDM4ERAB9AHPGDMEN1KMT2A
SCHEMBL2556936 0.83 FAAH (0.50) KDM4ERAB9AHPGDMEN1KMT2A
SCHEMBL2554836 0.82 KDM4E (0.69) KDM4ERAB9AMEN1KMT2AACHE
SCHEMBL29957071 0.81 L3MBTL1 (0.62) KDM4ERAB9AHPGDMEN1KMT2A
SCHEMBL2554953 0.81 KDM4E (0.71) KDM4ERAB9AHPGDMEN1KMT2A
SCHEMBL15331584 0.81 RAB9A (0.64) KDM4ERAB9AHPGDMEN1KMT2A
SCHEMBL2556788 0.81 RAB9A (0.64) KDM4ERAB9AHPGDMEN1KMT2A

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