SCHEMBL8010255

SCHEMBL8010255

O=C(Nc1ccc(C2CCN(C(=O)OCc3ccccc3)C(O)C2)cc1)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.59
KDM1A O60341 5/20 0.56
MAOA P21397 3/20 0.56
MAOB P27338 2/20 0.56
RCOR1 Q9UKL0 4/20 0.55
TGM2 P21980 3/20 0.46
POLB P06746 1/20 0.46
KDM1B Q8NB78 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL7985522 0.84 KDM1A (0.59) HRH3KDM1AMAOAMAOBRCOR1
SCHEMBL2635334 0.83 KDM1A (0.65) HRH3KDM1AMAOAMAOBRCOR1
SCHEMBL2635331 0.83 KDM1A (0.65) HRH3KDM1AMAOAMAOBRCOR1
SCHEMBL2635332 0.83 KDM1A (0.65) HRH3KDM1AMAOAMAOBRCOR1
SCHEMBL20530488 0.77 SMN1; SMN2 (0.53)
SCHEMBL30251765 0.77 SMN1; SMN2 (0.58)
SCHEMBL14824682 0.76 NAMPT (0.65) HRH3KDM1AMAOAMAOBRCOR1
SCHEMBL28697724 0.75 KDM1A (0.62) HRH3KDM1AMAOAMAOBRCOR1
SCHEMBL2635348 0.74 HRH3 (1.00) HRH3KDM1AMAOAMAOBRCOR1
SCHEMBL2635167 0.74 HRH3 (1.00) HRH3KDM1AMAOAMAOBRCOR1

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-6043266-A MICROBIOCIDES TREATING GRAM-POSITIVE BACTERIA INFECTIONS AND PERSONS WITH AIDS PHARMACIA & UPJOHN COMPANY (US) 2000-03-28 US disclosed