SCHEMBL31258350

SCHEMBL31258350

CC1CCCC2(CNC(=O)O2)C1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP1A2 P05177 1/20 0.37
LMNA P02545 1/20 0.35
CHRM2 P08172 1/20 0.35
ADRA2A P08913 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
DRD1 P21728 1/20 0.35
CHRNA7 P36544 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 1/20 0.34
TRPV4 Q9HBA0 1/20 0.31
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL20011130 0.79 TSHR (0.41) L3MBTL1CYP1A2LMNACHRM2ADRA2A
SCHEMBL20429744 0.78 LMNA (0.33) LMNACHRM2ADRA2ACYP2D6TSHR
SCHEMBL18355718 0.76 LMNA (0.46) LMNACHRM2ADRA2ACYP2D6TSHR
SCHEMBL22770864 0.76
SCHEMBL15987057 0.75 ATM (0.33) ATML3MBTL1
SCHEMBL3062964 0.74 LMNA (0.45) ATMLMNACHRM2ADRA2ACYP2D6
Hydrochloric Acid SCHEMBL4563303 0.72 MAPT (0.46) ATMLMNACHRM2ADRA2ACYP2D6
SCHEMBL16512349 0.72 CHRNA7 (0.38) LMNACHRM2ADRA2ACYP2D6TSHR
SCHEMBL16512320 0.72 CHRNA7 (0.38) LMNACHRM2ADRA2ACYP2D6TSHR
SCHEMBL15987053 0.72 CRBN (0.31) ATML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119855818-A Compound and application thereof in treatment of chronic hepatitis B, hepatic fibrosis and liver cancer 河北乌图药业有限公司 2025-04-18 CN disclosed
WO-2024217429-A1 COMPOUND AND USE THEREOF IN TREATMENT OF CHRONIC HEPATITIS B, HEPATIC FIBROSIS AND LIVER CANCER 河北乌图药业有限公司 2024-10-24 WO disclosed
WO-2024217452-A1 COMPOUND AND USE THEREOF IN TREATMENT OF CHRONIC HEPATITIS B, LIVER FIBROSIS, AND LIVER CANCER 河北乌图药业有限公司 2024-10-24 WO disclosed