SCHEMBL30833259

SCHEMBL30833259

OC(O)CCCCCCCC1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.54
CYP1A2 P05177 1/20 0.46
KDM5A P29375 3/20 0.40
PHF8 Q9UPP1 3/20 0.40
KDM2A Q9Y2K7 3/20 0.40
KDM4C Q9H3R0 2/20 0.40
KDM4A O75164 1/20 0.40
METAP1 P53582 1/20 0.40
EPHX1 P07099 1/20 0.39
NAAA Q02083 2/20 0.37
GPR84 Q9NQS5 1/20 0.37
MAPT P10636 1/20 0.36

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
SCHEMBL10358404 0.98 SIGMAR1 (0.50) SIGMAR1CYP1A2KDM5APHF8KDM2A
SCHEMBL9122326 0.96 SIGMAR1 (0.46) SIGMAR1CYP1A2KDM5APHF8KDM2A
SCHEMBL8585482 0.82 SIGMAR1 (0.48) SIGMAR1CYP1A2KDM5APHF8KDM2A
SCHEMBL2580715 0.81 METAP1 (0.50) SIGMAR1CYP1A2METAP1
SCHEMBL9717338 0.81 SIGMAR1 (0.75) SIGMAR1CYP1A2KDM5APHF8KDM2A
SCHEMBL4466278 0.81 SIGMAR1 (0.75) SIGMAR1CYP1A2KDM5APHF8KDM2A
SCHEMBL11310798 0.81 SIGMAR1 (0.75) SIGMAR1CYP1A2KDM5APHF8KDM2A
SCHEMBL7915243 0.81 SIGMAR1 (0.75) SIGMAR1CYP1A2KDM5APHF8KDM2A
SCHEMBL728711 0.81 SIGMAR1 (0.75) SIGMAR1CYP1A2KDM5APHF8KDM2A
SCHEMBL9194529 0.81 SIGMAR1 (0.75) SIGMAR1CYP1A2KDM5APHF8KDM2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117659361-A Ultralow-chromaticity polyester polyol and preparation process thereof 上海汇得科技股份有限公司 2024-03-08 CN disclosed