SCHEMBL30901547

SCHEMBL30901547

CCCCC(CC)CC1=C(CC(CC)CCCC)C2CC1C(C(=O)O)C2C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.39
ALDH1A1 P00352 5/20 0.38
TSHR P16473 5/20 0.36
CYP3A4 P08684 4/20 0.36
TDP1 Q9NUW8 2/20 0.36
ATM Q13315 1/20 0.36
MAPK1 P28482 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
GLA P06280 1/20 0.35
HTT P42858 1/20 0.35
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
MMP14 P50281 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL30901602 0.91 CHRM1 (0.31) TDP1
SCHEMBL30901554 0.83 MAPT (0.37) CA2MAPK1
SCHEMBL30901549 0.76 CHRM1 (0.35) TSHRCYP3A4TDP1L3MBTL1
SCHEMBL30901517 0.75 PPP5C (0.36) ALDH1A1TSHRL3MBTL1HTTLMNA
SCHEMBL30901516 0.74 SCD (0.41) ALDH1A1TSHR
SCHEMBL30901555 0.73 LMNA (0.37) ALDH1A1TSHRL3MBTL1HTTLMNA
SCHEMBL30901526 0.72 SCD (0.43) ALDH1A1TSHRTDP1
SCHEMBL30901584 0.72 SCD (0.43) ALDH1A1TSHRTDP1
SCHEMBL30440506 0.72 CA2 (0.41) CA2ALDH1A1TSHRCYP3A4TDP1
SCHEMBL30901542 0.71 POLB (0.35) TDP1L3MBTL1HTTLMNA

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-118108888-A Organic polymer carrier, Z-N catalyst, and preparation method and application thereof 中国石油天然气股份有限公司 2024-05-31 CN disclosed