SCHEMBL28404374

SCHEMBL28404374

C=CCCCCC(CC)C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 3/20 0.42
MAPT P10636 3/20 0.42
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
CYP3A4 P08684 2/20 0.42
HPGD P15428 1/20 0.42
CA2 P00918 4/20 0.42
CA1 P00915 2/20 0.42
LMNA P02545 2/20 0.38
RECQL P46063 1/20 0.37
GAA P10253 2/20 0.35
XBP1 P17861 1/20 0.35
ATM Q13315 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TSHR P16473 3/20 0.34
ABCC4 O15439 1/20 0.34
MAPK1 P28482 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL28448339 0.98 MAPT (0.44) USP2MAPTALDH1A1SMN1; SMN2CYP3A4
SCHEMBL29277716 0.95 CA2 (0.43) USP2MAPTALDH1A1SMN1; SMN2CYP3A4
SCHEMBL23834436 0.88 TSHR (0.48) USP2MAPTALDH1A1SMN1; SMN2CYP3A4
SCHEMBL16421155 0.86 MAPT (0.44) USP2MAPTALDH1A1SMN1; SMN2CYP3A4
SCHEMBL23833875 0.84 TSHR (0.44) USP2MAPTALDH1A1SMN1; SMN2CYP3A4
SCHEMBL28532812 0.83 CPB2 (0.45) USP2MAPTALDH1A1SMN1; SMN2CYP3A4
SCHEMBL852191 0.83 CA2 (0.41) USP2MAPTALDH1A1CYP3A4CA2
SCHEMBL852192 0.83 CA2 (0.41) USP2MAPTALDH1A1CYP3A4CA2
SCHEMBL28454383 0.83 CA1 (0.41) MAPTALDH1A1CYP3A4HPGDCA2
SCHEMBL30832708 0.82 CA2 (0.53) CA2CA1GAAXBP1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025087274-A1 AZABICYCLO DERIVATIVE AND PREPARATION METHOD THEREFOR, AND USE 浙江海正药业股份有限公司 2025-05-01 WO disclosed
CN-117229286-A Aromatic compound, preparation method thereof and application thereof in preparation of estrogen receptor degradation agent 海创药业股份有限公司 2023-12-15 CN disclosed
CN-111278821-B Spiro compounds as farnesol X receptor modulators 百时美施贵宝公司 2023-10-03 CN disclosed
CN-109743875-B Inhibitors of the MENIN-MLL interaction 生命医药有限责任公司 2022-04-29 CN disclosed
CN-111278821-A Spiro compounds as farnesoid X receptor modulators 百时美施贵宝公司 2020-06-12 CN disclosed