SCHEMBL28045609

SCHEMBL28045609

O=C(O)c1cccc(Oc2cc(C(=O)O)ccc2C(=O)O)c1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.64
MRGPRX4 Q96LA9 1/20 0.57
TTR P02766 2/20 0.54
KMO O15229 1/20 0.54
KDM4E B2RXH2 3/20 0.50
POLB P06746 3/20 0.50
KMT2A Q03164 1/20 0.47
NR4A2 P43354 1/20 0.47
PYGM P11217 1/20 0.47
NPC1 O15118 1/20 0.47
CYP2C9 P11712 1/20 0.47
RAB9A P51151 1/20 0.47
HPSE Q9Y251 1/20 0.47

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
SCHEMBL649980 0.90 TTR (0.66) AKR1C3TTRKDM4EPOLBHPSE
Hydrochloric Acid SCHEMBL28567730 0.88 TTR (0.64) AKR1C3TTRKDM4EPOLBHPSE
Hydrochloric Acid SCHEMBL10485517 0.88 TTR (0.64) AKR1C3TTRKDM4EPOLBHPSE
SCHEMBL921873 0.87 AKR1C3 (0.69) AKR1C3MRGPRX4TTRKMOKDM4E
SCHEMBL30462993 0.86 TTR (0.49) AKR1C3MRGPRX4TTRKDM4EPOLB
Hydrochloric Acid SCHEMBL9672161 0.85 TTR (0.60) AKR1C3TTRKDM4EPOLB
SCHEMBL31132451 0.85 POLB (0.59) AKR1C3TTRKDM4EPOLBPYGM
SCHEMBL30497476 0.84 TTR (0.54) AKR1C3TTRKDM4EPOLB
SCHEMBL11322194 0.84 TTR (0.54) AKR1C3TTRKDM4EPOLB
SCHEMBL5669480 0.84 TTR (0.52) AKR1C3MRGPRX4TTRKDM4EPOLB

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
CN-105198737-A Rare earth and organic frame material for detecting fluorescent temperature of high-temperature area and preparation method of rare earth and organic frame material UNIV ZHEJIANG 2015-12-30 CN claimed
CN-105198737-B Rare earth-organic framework materials for the detection of high-temperature area fluorescence temperature and preparation method thereof 浙江大学 2017-03-08 CN disclosed
CN-105198737-A Rare earth and organic frame material for detecting fluorescent temperature of high-temperature area and preparation method of rare earth and organic frame material UNIV ZHEJIANG 2015-12-30 CN disclosed