SCHEMBL29965211

SCHEMBL29965211

COc1ccc(Oc2c(Cl)cc(Br)cc2Cl)cc1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.52
KDM4E B2RXH2 3/20 0.52
THRB P10828 6/20 0.46
THRA P10827 4/20 0.46
ALDH1A1 P00352 4/20 0.46
RORC P51449 2/20 0.45
MRGPRX4 Q96LA9 1/20 0.45
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PLA2G2A P14555 1/20 0.44
MAPT P10636 4/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
LCK P06239 1/20 0.43
FYN P06241 1/20 0.43
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
ADRB1 P08588 1/20 0.41
ADRB3 P13945 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
SCHEMBL23663084 1.00 POLB (0.52) POLBKDM4ETHRBTHRAALDH1A1
SCHEMBL23663384 0.87 THRB (0.47) POLBKDM4ETHRBTHRAALDH1A1
SCHEMBL7043080 0.84 POLB (0.51) POLBKDM4ETHRBTHRAALDH1A1
SCHEMBL6367633 0.84 THRB (0.50) POLBKDM4ETHRBTHRAALDH1A1
SCHEMBL4965112 0.83 GAA (0.47) POLBKDM4EALDH1A1HPGDMAPT
SCHEMBL23663163 0.80 RAB9A (0.50) THRBALDH1A1HPGDLMNAKMT2A
SCHEMBL29964937 0.80 RAB9A (0.50) THRBALDH1A1HPGDLMNAKMT2A
SCHEMBL23663148 0.80 THRB (0.46) THRBTHRAALDH1A1RORCHPGD
SCHEMBL29965436 0.79 P2RX7 (0.44) THRBALDH1A1RORCHSD17B10MAPT
SCHEMBL23663365 0.78 THRB (0.43) KDM4ETHRBTHRAALDH1A1RORC

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-115244037-B Substituted triazinones as thyroid hormone receptor agonists 诚益生物(美国)公司 2024-10-25 CN disclosed
EP-4090652-A1 SUBSTITUTED TRIAZINONES AS THYROID HORMONE RECEPTOR AGONISTS Eccogene (Shanghai) Co., Ltd. (CN) 2022-11-23 EP disclosed
CN-115244037-A Substituted triazinones as thyroid hormone receptor agonists 上海诚益生物科技有限公司 2022-10-25 CN disclosed