SCHEMBL19984923

SCHEMBL19984923

COc1ccccc1C(=O)CCO

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 10/20 0.61
WNT3A P56704 10/20 0.61
HDAC8 Q9BY41 1/20 0.60
HDAC1 Q13547 1/20 0.60
NPC1 O15118 2/20 0.60
CTSD P07339 1/20 0.56
ALDH1A1 P00352 1/20 0.54
HTT P42858 1/20 0.54
KMT2A Q03164 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
IDO1 P14902 1/20 0.53
TDO2 P48775 1/20 0.53
RAB9A P51151 2/20 0.51
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL15979734 0.90 CTNNB1 (0.71) CTNNB1WNT3AHDAC8HDAC1NPC1
SCHEMBL30660944 0.85 CTNNB1 (0.61) CTNNB1WNT3AHDAC8HDAC1NPC1
SCHEMBL5307918 0.85 CTNNB1 (0.61) CTNNB1WNT3AHDAC8HDAC1NPC1
SCHEMBL1448202 0.85 NPC1 (0.64) CTNNB1WNT3AHDAC8HDAC1NPC1
SCHEMBL30609633 0.84 CTNNB1 (0.63) CTNNB1WNT3AHDAC8HDAC1NPC1
SCHEMBL11062509 0.84 CTNNB1 (0.59) CTNNB1WNT3AHDAC8HDAC1NPC1
SCHEMBL5081630 0.84 CTNNB1 (0.63) CTNNB1WNT3AHDAC8HDAC1NPC1
Benzene SCHEMBL28216480 0.83 NPC1 (0.67) CTNNB1WNT3AHDAC8HDAC1NPC1
SCHEMBL15988865 0.83 CTNNB1 (0.59) CTNNB1WNT3AHDAC8HDAC1NPC1
SCHEMBL21128714 0.82 NPC1 (0.83) CTNNB1WNT3AHDAC8HDAC1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119930620-A Tetrafused ring compound, preparation method, pharmaceutical composition and application thereof 和径医药科技(上海)有限公司 2025-05-06 CN disclosed
CN-117069720-A 5-HT 2A Receptor agonist, preparation method and application thereof 上海翊石医药科技有限公司 2023-11-17 CN disclosed
CN-115385782-A Mechanochemical synthesis method of benzoyl compound 兰州大学 2022-11-25 CN disclosed
EP-2306986-B1 PRODRUGS AND DRUG-MACROMOLECULE CONJUGATES HAVING CONTROLLED DRUG RELEASE RATES PROLYNX LLC (US) 2018-03-21 EP disclosed