SCHEMBL8538591

SCHEMBL8538591

O=C(Cc1cc(O)c(Sc2ccccc2)c(=O)o1)Oc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.38
PTPN1 P18031 2/20 0.37
KMT2A Q03164 5/20 0.36
HPGD P15428 1/20 0.36
MAOB P27338 1/20 0.35
ALDH1A1 P00352 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 3/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
LMNA P02545 2/20 0.34
EDNRA P25101 1/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
NSD2 O96028 1/20 0.34
PPARG P37231 1/20 0.33
NCOA2 Q15596 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
POLB P06746 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL8538683 0.82 KMT2A (0.39) CYP19A1PTPN1KMT2AHPGDKDM4E
SCHEMBL8539122 0.76 CYP19A1 (0.36) CYP19A1KMT2AHPGDALDH1A1KDM4E
SCHEMBL8538590 0.72 ALDH1A1 (0.38) KMT2AHPGDALDH1A1NPSR1KDM4E
SCHEMBL11792467 0.70 MEN1 (0.45) KMT2AHPGDALDH1A1KDM4EMAPT
SCHEMBL7397801 0.69 SMN1; SMN2 (0.54) CYP19A1KMT2AHPGDMAOBALDH1A1
SCHEMBL6952506 0.68 XDH (0.51) KMT2AHPGDALDH1A1NPSR1KDM4E
SCHEMBL8535277 0.65 BCL2 (0.38) KMT2AHPGDALDH1A1KDM4EMAPT
SCHEMBL6964231 0.65 EDNRA (0.51) CYP19A1KMT2AHPGDALDH1A1KDM4E
SCHEMBL6960232 0.64 SMN1; SMN2 (0.42) KMT2AALDH1A1KDM4EL3MBTL1MAPK1
SCHEMBL11056617 0.63 NSD2 (0.51) CYP19A1KMT2AHPGDALDH1A1KDM4E

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-5808062-A AIDS THERAPY WARNER-LAMBERT COMPANY (US) 1998-09-15 US claimed
US-5808062-A AIDS THERAPY WARNER-LAMBERT COMPANY (US) 1998-09-15 US disclosed