SCHEMBL29902172

SCHEMBL29902172

C=CC(=O)OCCCCOc1ccc2ccccc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.59
HDAC1 Q13547 2/20 0.55
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 2/20 0.51
TSHR P16473 2/20 0.51
CYP3A4 P08684 1/20 0.51
MAPK1 P28482 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
PTPN7 P35236 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
HPGD P15428 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 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
SCHEMBL16893800 1.00 THRB (0.59) THRBHDAC1KDM4EALDH1A1TSHR
SCHEMBL16893901 0.99 THRB (0.57) THRBHDAC1KDM4EALDH1A1TSHR
SCHEMBL27174609 0.99 THRB (0.57) THRBHDAC1KDM4EALDH1A1TSHR
SCHEMBL632262 0.99 THRB (0.57) THRBHDAC1KDM4EALDH1A1TSHR
SCHEMBL3735961 0.99 THRB (0.57) THRBHDAC1KDM4EALDH1A1TSHR
SCHEMBL16893713 0.99 THRB (0.57) THRBHDAC1KDM4EALDH1A1TSHR
SCHEMBL16893771 0.99 THRB (0.57) THRBHDAC1KDM4EALDH1A1TSHR
SCHEMBL16893600 0.99 THRB (0.57) THRBHDAC1KDM4EALDH1A1TSHR
SCHEMBL8044896 0.97 THRB (0.59) THRBHDAC1KDM4EALDH1A1TSHR
SCHEMBL24045504 0.94 THRB (0.56) THRBHDAC1KDM4EALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4301795-A1 FLUORINE-FREE DYNAMIC WATER REPELLENTS WITH OIL-REPELLENT PROPERTIES, WATER-REPELLENT ARTICLES, AND METHODS OF MAKING THE SAME 3M Innovative Properties Company (US) 2024-01-10 EP disclosed
WO-2022186908-A1 FLUORINE-FREE DYNAMIC WATER REPELLENTS WITH OIL-REPELLENT PROPERTIES, WATER-REPELLENT ARTICLES, AND METHODS OF MAKING THE SAME 3M INNOVATIVE PROPERTIES COMPANY (US) 2022-09-09 WO disclosed