SCHEMBL29220296

SCHEMBL29220296

C=CCCCOC(=O)/C(=C(\C(=O)OCCCC=C)C(C)C)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
LMNA P02545 2/20 0.38
CYP3A4 P08684 3/20 0.37
MAPT P10636 3/20 0.37
USP2 O75604 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
RECQL P46063 1/20 0.37
TSHR P16473 7/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HPGD P15428 2/20 0.36
ABCC4 O15439 1/20 0.34
ATM Q13315 1/20 0.34
LPAR2 Q9HBW0 1/20 0.34
LPAR3 Q9UBY5 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
THRB P10828 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
SCHEMBL29220292 0.95 ALDH1A1 (0.41) ALDH1A1LMNACYP3A4MAPTUSP2
SCHEMBL29220299 0.93 ALDH1A1 (0.36) ALDH1A1LMNACYP3A4MAPTUSP2
SCHEMBL29220295 0.89 MAPT (0.37) ALDH1A1LMNACYP3A4MAPTUSP2
SCHEMBL9246275 0.82 ALDH1A1 (0.44) ALDH1A1LMNACYP3A4MAPTUSP2
SCHEMBL29220317 0.79 ALDH1A1 (0.41) ALDH1A1LMNACYP3A4MAPTUSP2
SCHEMBL28238223 0.78 ALDH1A1 (0.42) ALDH1A1LMNACYP3A4MAPTUSP2
SCHEMBL5248589 0.77 TSHR (0.58) ALDH1A1LMNACYP3A4MAPTUSP2
SCHEMBL27982815 0.77 ALDH1A1 (0.44) ALDH1A1LMNACYP3A4MAPTUSP2
SCHEMBL10010112 0.76 ALDH1A1 (0.52) ALDH1A1LMNASMN1; SMN2TSHRL3MBTL1
SCHEMBL29220272 0.76 TDP1 (0.44) ALDH1A1CYP3A4MAPTTSHRTDP1

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-118108878-A Organic polymer carrier and preparation method and application thereof 中国石油天然气股份有限公司 2024-05-31 CN claimed
CN-118108878-A Organic polymer carrier and preparation method and application thereof 中国石油天然气股份有限公司 2024-05-31 CN disclosed