SCHEMBL29945167

SCHEMBL29945167

O=CCc1c[nH]c2ccc(O)cc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 6/20 0.62
ALDH1A1 P00352 4/20 0.62
CYP2C9 P11712 3/20 0.62
TSHR P16473 3/20 0.62
NFKB1 P19838 3/20 0.62
LMNA P02545 3/20 0.62
PMP22 Q01453 2/20 0.62
HPGD P15428 2/20 0.62
GLA P06280 1/20 0.62
HTR2C P28335 7/20 0.61
HTR1A P08908 5/20 0.59
HTR2A P28223 5/20 0.59
HTR2B P41595 4/20 0.59
CYP2D6 P10635 4/20 0.59
HTR1D P28221 4/20 0.59
CYP1A2 P05177 3/20 0.59
CYP3A4 P08684 3/20 0.59
HTR1B P28222 2/20 0.59
HTR7 P34969 2/20 0.59
HTR3E A5X5Y0 1/20 0.59

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
SCHEMBL308460 1.00 NPSR1 (0.62) NPSR1ALDH1A1CYP2C9TSHRNFKB1
SCHEMBL11339569 0.83 HTR2C (0.64) NPSR1ALDH1A1CYP2C9TSHRNFKB1
Serotonin SCHEMBL7805171 0.83 NPSR1 (0.68) NPSR1ALDH1A1CYP2C9TSHRNFKB1
SCHEMBL266613 0.81 NPSR1 (0.68) NPSR1ALDH1A1CYP2C9TSHRNFKB1
SCHEMBL5424801 0.80 HTR2C (0.71) NPSR1ALDH1A1CYP2C9TSHRNFKB1
SCHEMBL9912222 0.80 GPR84 (0.67) HTR2CHTR1AHTR2AHTR2BHTR1D
SCHEMBL5793206 0.80 GPR84 (0.67) TSHRHTR2CHTR1AHTR2ASLC6A4
SCHEMBL27821134 0.80 GPR84 (0.67) TSHRLMNAHTR2CHTR1AHTR2A
SCHEMBL28534064 0.79 HTR2C (0.74) NPSR1ALDH1A1CYP2C9TSHRNFKB1
Serotonin SCHEMBL29164900 0.78 HTR2C (0.85) NPSR1ALDH1A1CYP2C9TSHRNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4627069-A1 FOOD AND PHARMACEUTICAL COMPOSITION FOR DETOXIFYING ENDOGENOUS ALDEHYDES Picoentech Co., Ltd. (KR) 2025-10-08 EP disclosed
US-20250304926-A1 Engineered cells for production of indole-derivatives DANMARKS TEKNISKE UNIVERSITET (DK) 2025-10-02 US disclosed
WO-2025137591-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR PROMOTING ZINC SOLUBILIZATION AND ZINC UPTAKE IN PLANTS Tenfold Technologies, LLC (US) 2025-06-26 WO disclosed
US-20250154550-A1 HANGOVER RELIEVER CONTAINING GLUTATHIONE AND ALDEHYDE DEHYDROGENASE PICO ENTECH CO., LTD. (KR) 2025-05-15 US disclosed
CN-119335169-A Early diagnosis or prediction biomarker for acute pancreatitis infection complications 上海交通大学医学院附属瑞金医院 2025-01-21 CN disclosed
US-20240182915-A1 FOOD AND PHARMACEUTICAL COMPOSITION FOR DETOXIFYING ENDOGENOUS ALDEHYDES PICOENTECH Co., LTD. (KR) 2024-06-06 US disclosed
WO-2024117698-A1 FOOD AND PHARMACEUTICAL COMPOSITION FOR DETOXIFYING ENDOGENOUS ALDEHYDES PICOENTECH Co., LTD. (KR) 2024-06-06 WO disclosed
US-20230051207-A1 HANGOVER RELIEVER CONTAINING GLUTATHIONE AND ALDEHYDE DEHYDROGENASE PICO ENTECH CO., LTD. (KR) 2023-02-16 US disclosed
CN-115087726-A Hangover relief agent containing glutathione and aldehyde dehydrogenase 匹克生物酶高科技有限公司 2022-09-20 CN disclosed