SCHEMBL29951665

SCHEMBL29951665

OB(O)c1cccc(OCCN2CCCC2)c1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.61
KDM4E B2RXH2 5/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
ALDH1A1 P00352 2/20 0.59
BACE1 P56817 1/20 0.59
POLB P06746 1/20 0.56
GAA P10253 1/20 0.56
HTT P42858 2/20 0.54
LMNA P02545 1/20 0.54
MAPK1 P28482 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.52
ESR1 P03372 2/20 0.52
CHRNB2 P17787 1/20 0.51
CHRNA4 P43681 1/20 0.51
TSHR P16473 1/20 0.51

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
SCHEMBL29957034 0.99 BACE1 (0.62) LTA4HKDM4ESMN1; SMN2ALDH1A1BACE1
SCHEMBL29957497 0.99 BACE1 (0.62) LTA4HKDM4ESMN1; SMN2ALDH1A1BACE1
SCHEMBL2821196 0.93 KDM4E (0.62) KDM4ESMN1; SMN2ALDH1A1L3MBTL1ESR1
SCHEMBL2557377 0.89 KMT2A (0.63) LTA4HKDM4ESMN1; SMN2ALDH1A1BACE1
SCHEMBL2558114 0.88 LTA4H (0.49) LTA4HKDM4ESMN1; SMN2ALDH1A1BACE1
SCHEMBL15329359 0.88 KDM4E (0.56) LTA4HKDM4ESMN1; SMN2ALDH1A1BACE1
SCHEMBL2555039 0.87 KDM4E (0.60) LTA4HKDM4ESMN1; SMN2ALDH1A1HTT
SCHEMBL2561445 0.85 KDM4E (0.62) KDM4ESMN1; SMN2HTTLMNAMAPK1
SCHEMBL4089600 0.84 LTA4H (0.56) LTA4HKDM4EPOLB
SCHEMBL4083675 0.83 HRH3 (0.56) LTA4HKDM4EPOLB

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