SCHEMBL29008641

SCHEMBL29008641

CCCCC(CC)CCC=O.[MgH2]

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
TSHR P16473 6/20 0.50
ALDH1A1 P00352 6/20 0.50
CA2 P00918 3/20 0.47
TDP1 Q9NUW8 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
ATM Q13315 1/20 0.43
FAAH O00519 2/20 0.40
TRPV1 Q8NER1 2/20 0.40

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
SCHEMBL2958422 0.98 CYP3A4 (0.53) CYP3A4L3MBTL1TSHRALDH1A1CA2
SCHEMBL1826406 0.91 TSHR (0.50) CYP3A4L3MBTL1TSHRALDH1A1CA2
SCHEMBL11687766 0.89 TSHR (0.54) CYP3A4L3MBTL1TSHRALDH1A1CA2
SCHEMBL9257092 0.89 TSHR (0.54) CYP3A4L3MBTL1TSHRALDH1A1CA2
SCHEMBL3338091 0.89 TSHR (0.56) CYP3A4L3MBTL1TSHRALDH1A1CA2
SCHEMBL9770261 0.89 TSHR (0.55) CYP3A4L3MBTL1TSHRALDH1A1CA2
SCHEMBL28511546 0.86 TSHR (0.52) CYP3A4L3MBTL1TSHRALDH1A1CA2
SCHEMBL9265049 0.85 TSHR (0.60) CYP3A4L3MBTL1TSHRALDH1A1CA2
SCHEMBL29008643 0.85 TSHR (0.54) CYP3A4L3MBTL1TSHRALDH1A1CA2
SCHEMBL8352114 0.84 TSHR (0.50) CYP3A4L3MBTL1TSHRALDH1A1CA2

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-112566976-B Polypropylene-based composition with improved coatability 北欧化工公司 2023-05-26 CN disclosed