SCHEMBL31655439

SCHEMBL31655439

O=S1(=O)CCCc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
LMNA P02545 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2A6 P11509 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
CA2 P00918 2/20 0.37
CA1 P00915 1/20 0.37
CA9 Q16790 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
GALR1 P47211 2/20 0.36
CXCR2 P25025 4/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2C P18825 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
GPR3 P46089 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL255956 1.00 TSHR (0.44) TSHRLMNACYP2C9CYP2A6MAOA
Methane SCHEMBL10428157 0.98 TSHR (0.42) TSHRLMNACYP2C9CYP2A6MAOA
Cyclopropane SCHEMBL2363143 0.98 TSHR (0.42) TSHRLMNACYP2C9CYP2A6MAOA
Cyclopropane SCHEMBL2363620 0.96 TSHR (0.41) TSHRLMNACYP2C9CYP2A6MAOA
SCHEMBL407166 0.94 TSHR (0.48) TSHRLMNACYP2C9CYP2A6MAOA
SCHEMBL61667 0.86 CA1 (0.47) TSHRCYP2A6CA2CA1CA9
SCHEMBL30533792 0.86 CA1 (0.47) TSHRCYP2A6CA2CA1CA9
Methoxymethane SCHEMBL10859333 0.79 CA2 (0.42) MAOAMAOBCA2CA1CA9
SCHEMBL3494049 0.74 TSHR (0.50) TSHRCYP2A6MAOAMAOBL3MBTL1
SCHEMBL6205306 0.74 CYP2A6 (0.47) LMNACYP2A6MAOAMAOBCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120247868-A Dihydrobenzothiopyran-1, 1-dioxide compounds, preparation method and application thereof 中国人民解放军海军第九七一医院 2025-07-04 CN disclosed