SCHEMBL5583147

SCHEMBL5583147

O=C(O)c1ccc(O)cc1OCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.63
ESR1 P03372 1/20 0.58
ESR2 Q92731 1/20 0.58
FOLH1 Q04609 1/20 0.57
MAOB P27338 1/20 0.55
CYP2C19 P33261 2/20 0.53
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53
PTGS1 P23219 1/20 0.53
SLC6A2 P23975 1/20 0.53
PTGS2 P35354 1/20 0.53
SLC6A3 Q01959 1/20 0.53
HIF1A Q16665 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
MAPT P10636 1/20 0.52
CYP2C9 P11712 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
KDM4E B2RXH2 1/20 0.52

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
SCHEMBL11278414 0.87 MAOB (0.68) MCL1MAOBCYP2C19LMNACYP1A2
SCHEMBL4756552 0.87 MAOB (0.63) MCL1FOLH1MAOBCYP2C19LMNA
SCHEMBL344398 0.87 FOLH1 (0.70) MCL1FOLH1CYP2C19L3MBTL1MAPT
SCHEMBL31406535 0.86 ALDH1A1 (0.56) MCL1ESR1ESR2FOLH1MAOB
SCHEMBL10089235 0.86 FOLH1 (0.69) MCL1FOLH1MAOBL3MBTL1KDM4E
SCHEMBL14587603 0.86 MEN1 (0.57) MCL1ESR1ESR2MAOBCYP2C19
SCHEMBL3189637 0.86 TDP1 (0.58) MCL1MAOBLMNASLC6A2SLC6A3
SCHEMBL2634130 0.85 NR4A2 (0.63) MCL1FOLH1SMN1; SMN2NR4A1NR4A2
SCHEMBL3926335 0.84 PTGER1 (0.67) MCL1FOLH1CYP2C9PTGER1
SCHEMBL17177743 0.84 MCL1 (0.76) MCL1FOLH1MAOBL3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117794526-A Compositions and methods for antioxidants and anti-inflammatory therapeutics 阿万蒂生物科学股份有限公司 2024-03-29 CN disclosed
CN-113574353-A Paste composition for pressure measurement and pressure measurement method 富士胶片株式会社 2021-10-29 CN disclosed
EP-1142863-B1 Polymerisable liquid crystals BASF AG (DE) 2007-08-01 EP disclosed
US-6793986-B2 Polymerizable liquid crystals BASF AKTIENGESELLSCHAFT (DE) 2004-09-21 US disclosed
US-20040075080-A1 Crosslinkable mesogendiols BASF AKTIENGESELLSCHAFT (DE) 2004-04-22 US disclosed
US-6699405-B2 Polymerizable liquid crystals BASF AKTIENGESELLSCHAFT (DE) 2004-03-02 US disclosed
US-20020036285-A1 Having relatively high crosslinking density. BASF AKTIENGESELLSCHAFT (DE) 2002-03-28 US disclosed
EP-1142863-A2 Polymerisable liquid crystals BASF AKTIENGESELLSCHAFT (DE) 2001-10-10 EP disclosed