SCHEMBL22301081

SCHEMBL22301081

CNC(CCC(C)=O)C(=O)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ SLC15A2 Q16348 1/20 0.31
▸ ANPEP P15144 1/20 0.31
▸ ENPEP Q07075 1/20 0.31
▸ FOLH1 Q04609 2/20 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
SCHEMBL19477961 1.00 ALDH1A1 (0.36) ALDH1A1TDP1LMNASLC15A2ANPEP
SCHEMBL18929774 0.87 NOD1 (0.35) —
SCHEMBL13233861 0.83 ANPEP (0.47) ANPEPENPEPFOLH1
SCHEMBL21152948 0.83 ANPEP (0.47) ANPEPENPEPFOLH1
SCHEMBL24283006 0.83 ANPEP (0.47) ANPEPENPEPFOLH1
SCHEMBL24235599 0.82 NAALAD2 (0.33) ALDH1A1
SCHEMBL12766314 0.82 ALDH1A1 (0.35) ALDH1A1TDP1LMNASLC15A2
SCHEMBL12537111 0.82 ALDH1A1 (0.42) ALDH1A1FOLH1
SCHEMBL10308608 0.82 ALDH1A1 (0.42) ALDH1A1FOLH1
SCHEMBL29328853 0.82 ALDH1A1 (0.35) ALDH1A1TDP1LMNASLC15A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023109942-A1 COMPOUND-LINKER CONSTRUCTS COMPRISING NOVEL COMPOUNDS USEFUL AS STING AGONISTS AND USES THEREOF JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2023-06-22 — — WO disclosed
WO-2022022360-A1 POLYETHYLENE GLYCOL CONJUGATE DRUG, AND PREPARATION METHOD THERFOR AND USE THEREOF 重庆阿普格雷生物科技有限公司 2022-02-03 — — WO disclosed
EP-3919080-A1 POLYETHYLENE GLYCOL CONJUGATE MEDICAMENT, PREPARATION METHOD THERFOR AND USE THEREOF Chongqing Upgra Biotechnology Co., Ltd. (CN) 2021-12-08 — — EP disclosed
WO-2020155497-A1 POLYETHYLENE GLYCOL CONJUGATE MEDICAMENT, PREPARATION METHOD THERFOR AND USE THEREOF 重庆阿普格雷生物科技有限公司 2020-08-06 — — WO disclosed
Send feedback