SCHEMBL69658

SCHEMBL69658

O=C(OC1=CS(=O)(=O)c2ccccc21)c1cccc(C(=O)OC2=CS(=O)(=O)c3ccccc32)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.50
ALDH1A1 P00352 3/20 0.50
LMNA P02545 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
USP2 O75604 1/20 0.47
HPGD P15428 2/20 0.43
NPC1 O15118 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
RHOA P61586 1/20 0.43
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
POLB P06746 1/20 0.36
TOP1 P11387 1/20 0.36
ELANE P08246 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL69657 0.94 MAPT (0.46) MAPTALDH1A1LMNACYP1A2CYP2C9
SCHEMBL11256477 0.79 MAPT (0.50) MAPTALDH1A1LMNACYP1A2CYP2C9
SCHEMBL8795307 0.71 MAPT (0.56) MAPTALDH1A1LMNACYP1A2CYP2C9
SCHEMBL69684 0.66 NSD2 (0.63) MAPTALDH1A1HPGDKDM4ERAB9A
SCHEMBL9679154 0.66 TOP1 (0.56) MAPTLMNAUSP2KDM4EGAA
SCHEMBL28168705 0.65 NSD2 (0.61) MAPTALDH1A1HPGDKDM4EKMT2A
SCHEMBL8673010 0.65 NSD2 (0.61) MAPTALDH1A1HPGDKDM4EKMT2A
SCHEMBL27267181 0.65 KMT2A (0.83) MAPTALDH1A1CYP1A2CYP2C19NPC1
SCHEMBL12857642 0.65 PTGS2 (0.49) MAPTALDH1A1LMNANPC1KDM4E
SCHEMBL27970386 0.65 ALDH1A1 (0.53) MAPTALDH1A1LMNACYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2479203-A1 AROMATIC POLYESTER Muroran Institute of Technology (JP) 2012-07-25 EP disclosed
US-8129493-B2 Aromatic polyester MURORAN INSTITUTE OF TECHNOLOGY (JP) 2012-03-06 US disclosed
US-20110092662-A1 AROMATIC POLYESTER NITTA CORPORATION (JP) 2011-04-21 US disclosed