SCHEMBL29952626

SCHEMBL29952626

COc1cccc2occ(C=O)c(=O)c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 7/20 0.51
MAOA P21397 5/20 0.51
MAOB P27338 3/20 0.51
POLB P06746 1/20 0.51
TLR2 O60603 1/20 0.45
ERN1 O75460 1/20 0.45
TLR1 Q15399 1/20 0.45
TLR6 Q9Y2C9 1/20 0.45
ESR1 P03372 1/20 0.45
KDM5A P29375 1/20 0.45
ESR2 Q92731 1/20 0.45
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPT P10636 1/20 0.41

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
SCHEMBL1573192 1.00 PTPN1 (0.51) PTPN1MAOAMAOBPOLBTLR2
SCHEMBL914152 0.89 TLR2 (0.49) PTPN1MAOAMAOBPOLBTLR2
SCHEMBL11876962 0.83 PTPN1 (0.47) PTPN1MAOAMAOBPOLBTLR2
SCHEMBL28467498 0.78 MAOA (0.54) MAOAESR1KDM5AESR2ALDH1A1
SCHEMBL31522272 0.76 MAOB (0.56) PTPN1MAOAMAOBPOLBERN1
SCHEMBL14341669 0.76 MAOA (0.41) MAOAMAOBTLR2ERN1TLR1
SCHEMBL29277381 0.76 PTPN1 (0.56) PTPN1MAOAMAOBPOLBALDH1A1
SCHEMBL29277368 0.76 PTPN1 (0.56) PTPN1MAOAMAOBPOLBALDH1A1
SCHEMBL29277392 0.76 PTPN1 (0.56) PTPN1MAOAMAOBPOLBERN1
SCHEMBL11614605 0.76 PTPN1 (0.56) PTPN1MAOAMAOBPOLBTLR2

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