SCHEMBL69657

SCHEMBL69657

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
USP2 O75604 1/20 0.43
CHEK1 O14757 1/20 0.43
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
AKR1C3 P42330 1/20 0.40
RHOA P61586 1/20 0.39
POLB P06746 4/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
HSP90AA1 P07900 1/20 0.39
VCP P55072 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
SCHEMBL69658 0.94 MAPT (0.50) MAPTALDH1A1LMNACYP1A2CYP2C9
SCHEMBL10786907 0.72 KMT2A (0.56) MAPTLMNAUSP2GAAAKR1C3
SCHEMBL995523 0.72 AKR1C3 (0.61) MAPTALDH1A1LMNAGAAAKR1C3
Isophthalic Acid SCHEMBL9679148 0.71 DAO (0.62) MAPTCYP1A2CYP2C9HPGDAKR1C3
SCHEMBL8848151 0.70 LMNA (0.56) MAPTALDH1A1LMNAKDM4EGAA
SCHEMBL28455036 0.69 AKR1C3 (0.58) MAPTALDH1A1LMNAGAAAKR1C3
Terephthalic Acid SCHEMBL6660728 0.69 AKR1C3 (0.58) MAPTALDH1A1KDM4ENPC1RAB9A
SCHEMBL10497239 0.69 AKR1C3 (0.56) MAPTCYP1A2CYP2C9CYP2C19GAA
SCHEMBL11264314 0.69 AKR1C3 (0.56) MAPTLMNACYP1A2CYP2C9GAA
SCHEMBL11196204 0.69 AKR1C3 (0.61) MAPTALDH1A1AKR1C3KMT2AMEN1

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