SCHEMBL8407945

SCHEMBL8407945

CCCCOC(=O)[C@@H](N)CC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
S1PR1 P21453 1/20 0.47
S1PR3 Q99500 1/20 0.47
ATM Q13315 1/20 0.44
HCAR2 Q8TDS4 2/20 0.43
NOD1 Q9Y239 1/20 0.42
TSHR P16473 3/20 0.41
HPGD P15428 1/20 0.41
GPR84 Q9NQS5 4/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
PDE4D Q08499 1/20 0.39
NAAA Q02083 1/20 0.38
SLC1A3 P43003 1/20 0.38

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
SCHEMBL14502551 1.00 ALDH1A1 (0.47) ALDH1A1S1PR1S1PR3ATMHCAR2
Hydrochloric Acid SCHEMBL5709063 0.98 S1PR1 (0.46) ALDH1A1S1PR1S1PR3ATMHCAR2
SCHEMBL30179073 0.94 S1PR1 (0.49) S1PR1S1PR3HCAR2NOD1TSHR
SCHEMBL1644714 0.94 S1PR1 (0.49) S1PR1S1PR3HCAR2NOD1TSHR
SCHEMBL2981704 0.93 S1PR1 (0.51) S1PR1S1PR3HCAR2NOD1TSHR
SCHEMBL6710658 0.93 S1PR1 (0.48) S1PR1S1PR3HCAR2NOD1TSHR
SCHEMBL2988281 0.93 S1PR1 (0.51) S1PR1S1PR3HCAR2NOD1TSHR
SCHEMBL7918477 0.93 S1PR1 (0.51) S1PR1S1PR3HCAR2NOD1TSHR
SCHEMBL7775091 0.93 S1PR1 (0.51) S1PR1S1PR3HCAR2NOD1TSHR
SCHEMBL2983602 0.93 S1PR1 (0.51) S1PR1S1PR3HCAR2NOD1TSHR

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
CN-122037683-A Waterproof coating modifying treatment method 上海理工大学 2026-05-15 CN claimed
CN-122037683-A Waterproof coating modifying treatment method 上海理工大学 2026-05-15 CN disclosed
US-9408910-B2 Anticancer prodrug activated by radiation or ultraviolet treatment and use thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2016-08-09 US disclosed
WO-2016029307-A1 STIMULI-SWITCHABLE MOIETIES, MONOMERS AND POLYMERS INCORPORATING STIMULI-SWITCHABLE MOIETIES, AND METHODS OF MAKING AND USING SAME THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2016-03-03 WO disclosed
CN-103739531-A Novel amino acid derivatives, method for preparing same, and therapeutic use thereof PHARMALEADS 2014-04-23 CN disclosed
CN-102026966-B Novel amino acid derivatives, preparation method and therapeutic use thereof PHARMALEADS 2014-02-12 CN disclosed
CN-101189253-A Antiinfective lipopeptides CUBIST PHARM INC (US) 2008-05-28 CN disclosed
EP-0927264-A1 REGIOSELECTIVE alpha-HYDROLYSIS OF AMINO ACID DIESTERS USING PIG LIVER ESTERASE NSC Technologies LLC (US) 1999-07-07 EP disclosed
WO-1998008968-A1 REGIOSELECTIVE α-HYDROLYSIS OF AMINO ACID DIESTERS USING PIG LIVER ESTERASE NSC TECHNOLOGIES LLC (US) 1998-03-05 WO disclosed