SCHEMBL8528173

SCHEMBL8528173

O=C(O)c1cccc2c(Sc3ccccc3)ccc(C(=O)O)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 1/20 0.49
NR4A1 P22736 1/20 0.46
NR4A2 P43354 1/20 0.46
NR4A3 Q92570 1/20 0.46
BCL2 P10415 1/20 0.45
POLB P06746 1/20 0.43
PARP1 P09874 1/20 0.43
ALDH1A1 P00352 3/20 0.42
ALOX15 P16050 1/20 0.42
CYP1A2 P05177 1/20 0.42
CDC25B P30305 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
WDR5 P61964 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL7542476 0.84 SIRT1 (0.49) SIRT1NR4A1NR4A2NR4A3POLB
SCHEMBL28307212 0.79 CYP1A2 (0.45) NR4A1NR4A2NR4A3POLBPARP1
SCHEMBL231042 0.76 SIRT1 (0.71) SIRT1POLBALDH1A1ALOX15CYP1A2
SCHEMBL2830679 0.76 NR4A1 (0.61) NR4A1NR4A2NR4A3POLBPARP1
SCHEMBL29904701 0.76 NR4A1 (0.61) NR4A1NR4A2NR4A3POLBPARP1
SCHEMBL31401789 0.76 NR4A1 (0.61) NR4A1NR4A2NR4A3POLBPARP1
SCHEMBL7185381 0.75 NR4A1 (0.57) SIRT1NR4A1NR4A2NR4A3POLB
SCHEMBL9566918 0.75 KDM4E (0.47) NR4A1NR4A2NR4A3POLBPARP1
SCHEMBL11674799 0.75 SIRT1 (0.46) SIRT1NR4A1NR4A2NR4A3POLB
SCHEMBL14176707 0.75 ALDH1A1 (0.49) SIRT1POLBALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5830931-A DYEING SYNTHETIC HYDROPHOBIC MATERIAL BAYER AKTIENGESELLSCHAFT (DE) 1998-11-03 US claimed
US-5830931-A DYEING SYNTHETIC HYDROPHOBIC MATERIAL BAYER AKTIENGESELLSCHAFT (DE) 1998-11-03 US disclosed
US-5530130-A DYEING PLASTICS BAYER AKTIENGESELLSCHAFT (DE) 1996-06-25 US disclosed
US-4007180-A POLYESTERS HOECHST AKTIENGESELLSCHAFT (DT) 1977-02-08 US disclosed