SCHEMBL9514810

SCHEMBL9514810

O=C(O)c1ccc(Sc2cccc3c2C(=O)c2cccc(Sc4ccc(C(=O)O)cc4)c2C3=O)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.63
KDM4E B2RXH2 3/20 0.63
NSD2 O96028 1/20 0.63
MAPK1 P28482 1/20 0.63
PKM P14618 1/20 0.48
TTR P02766 5/20 0.47
ALDH1A1 P00352 4/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 2/20 0.41
BCHE P06276 1/20 0.41
POLB P06746 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
CYP3A4 P08684 1/20 0.41
THRB P10828 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL4465042 0.83 MAPT (0.89) MAPTKDM4ENSD2MAPK1ALDH1A1
SCHEMBL6821902 0.81 MAPT (0.64) MAPTKDM4ENSD2MAPK1ALDH1A1
SCHEMBL26714494 0.81 MAPT (0.73) MAPTKDM4ENSD2MAPK1ALDH1A1
SCHEMBL4480618 0.80 MAPT (0.72) MAPTKDM4ENSD2MAPK1ALDH1A1
SCHEMBL285567 0.80 MAPT (0.89) MAPTKDM4ENSD2MAPK1ALDH1A1
Anthraquinone SCHEMBL11411972 0.80 MAPT (0.89) MAPTKDM4ENSD2MAPK1ALDH1A1
SCHEMBL30475313 0.80 MAPT (0.89) MAPTKDM4ENSD2MAPK1ALDH1A1
SCHEMBL4485448 0.78 MAPT (0.64) MAPTKDM4ENSD2MAPK1MEN1
SCHEMBL22827087 0.78 MAPT (0.86) MAPTKDM4ENSD2MAPK1ALDH1A1
SCHEMBL6365480 0.78 MAPK1 (0.64) MAPTKDM4ENSD2MAPK1ALDH1A1

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
EP-0570511-A1 THERMOPLASTIC POLYMERS COLORED WITH POLYESTER COLOR CONCENTRATES EASTMAN CHEMICAL COMPANY (US) 1993-11-24 EP disclosed
WO-1992013921-A1 THERMOPLASTIC POLYMERS COLORED WITH POLYESTER COLOR CONCENTRATES EASTMAN KODAK COMPANY (US) 1992-08-20 WO disclosed