SCHEMBL29066690

SCHEMBL29066690

COC(=O)C1(C(=O)O)CCC(CO)CC1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL4870636 0.86 MAPT (0.33) CYP4F2CYP4A11MAPTLMNANPSR1
SCHEMBL29054015 0.82 APLNR (0.32)
SCHEMBL4006703 0.79 NPSR1 (0.34) MAPTLMNANPSR1
SCHEMBL71320 0.78 NPSR1 (0.41) CYP4F2CYP4A11MAPTLMNANPSR1
SCHEMBL9044471 0.78 CYP4F2 (0.35) CYP4F2CYP4A11MAPTLMNANPSR1
SCHEMBL4870627 0.76 NPSR1 (0.34) CYP4F2CYP4A11MAPTLMNANPSR1
SCHEMBL9064174 0.75 LMNA (0.32) MAPTLMNANPSR1
SCHEMBL8531001 0.75 APLNR (0.39) CYP4F2CYP4A11MAPTNPSR1
SCHEMBL4797285 0.74 TLR4 (0.39) MAPTLMNA
SCHEMBL757321 0.74 NPSR1 (0.48) CYP4F2CYP4A11MAPTLMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117339591-A Catalyst for hydrogenation, preparation method and application thereof and phthalate hydrogenation method 中国石油化工股份有限公司 2024-01-05 CN disclosed
CN-112691674-B Ester hydrogenation catalyst, and preparation method and application thereof 中国石油化工股份有限公司 2023-08-29 CN disclosed