SCHEMBL9867345

SCHEMBL9867345

O=C(CCNC(=O)c1cccc(NC(=O)c2cccc(CNC(=O)OCc3ccccc3)c2)c1)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.52
KDM1A O60341 1/20 0.50
MAOA P21397 1/20 0.50
KDM1B Q8NB78 1/20 0.50
RCOR1 Q9UKL0 1/20 0.50
SENP1 Q9P0U3 2/20 0.49
NR1H4 Q96RI1 1/20 0.49
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.48
PAX8 Q06710 1/20 0.47
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL9865584 0.94 NAMPT (0.60) NAMPTKDM1AMAOAKDM1BRCOR1
SCHEMBL9866050 0.88 GAA (0.54) KDM1AMAOAKDM1BRCOR1SENP1
SCHEMBL9865717 0.85 KDM1A (0.48) KDM1AMAOAKDM1BRCOR1NR1H4
SCHEMBL9865134 0.85 HTT (0.53) SENP1ALDH1A1HPGDHTTPAX8
SCHEMBL9864590 0.84 PAX8 (0.52) NAMPTKDM1AMAOAKDM1BRCOR1
SCHEMBL9335791 0.84 HTT (0.49) SENP1HTTPAX8
SCHEMBL9335708 0.84 NR1H4 (0.49) KDM1AMAOAKDM1BRCOR1NR1H4
SCHEMBL9867129 0.83 HDAC6 (0.49) SENP1HTTPAX8
SCHEMBL10444691 0.83 HDAC6 (0.49) SENP1HTTPAX8
SCHEMBL9864867 0.83 NR1H4 (0.51) KDM1AMAOAKDM1BRCOR1NR1H4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5039805-A Novel benzoic and phenylacetic acid derivatives HOFFMANN-LA ROCHE INC. (US) 1991-08-13 US disclosed
EP-0372486-A2 Benzoic-acid phenylacetic-acid derivatives, their preparation and their use as medicines F. HOFFMANN-LA ROCHE AG (CH) 1990-06-13 EP disclosed