SCHEMBL9504146

SCHEMBL9504146

CCCOC(=O)c1ccc(C(=O)OCCC)c2c(C(=O)OCCC)ccc(C(=O)OCCC)c12

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.70
LMNA P02545 2/20 0.57
TSHR P16473 7/20 0.55
TDP1 Q9NUW8 3/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
ESR1 P03372 1/20 0.55
CHRM1 P11229 1/20 0.55
SLC6A2 P23975 1/20 0.55
KDR P35968 1/20 0.55
CYP3A4 P08684 2/20 0.53
MAPK1 P28482 2/20 0.53
TP53 P04637 1/20 0.53
KDM4E B2RXH2 4/20 0.47
HSD17B10 Q99714 3/20 0.47
MAOB P27338 1/20 0.47
SERPINE1 P05121 1/20 0.46
POLB P06746 2/20 0.45
STS P08842 1/20 0.45

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
SCHEMBL9505999 0.88 TSHR (0.72) ALDH1A1LMNATSHRTDP1L3MBTL1
SCHEMBL28602675 0.84 ALDH1A1 (0.74) ALDH1A1LMNATSHRTDP1L3MBTL1
SCHEMBL28618740 0.84 ALDH1A1 (0.74) ALDH1A1LMNATSHRTDP1L3MBTL1
SCHEMBL19066309 0.83 ALDH1A1 (1.00) ALDH1A1LMNATSHRTDP1L3MBTL1
SCHEMBL112063 0.83 ALDH1A1 (1.00) ALDH1A1LMNATSHRTDP1L3MBTL1
SCHEMBL8878720 0.82 ALDH1A1 (0.54) ALDH1A1LMNATSHRTDP1L3MBTL1
SCHEMBL9505270 0.82 TSHR (0.68) ALDH1A1LMNATSHRL3MBTL1ESR1
SCHEMBL829756 0.82 ALDH1A1 (0.69) ALDH1A1LMNATSHRTDP1L3MBTL1
SCHEMBL28754866 0.82 ALDH1A1 (0.75) ALDH1A1LMNATSHRTDP1L3MBTL1
SCHEMBL17934077 0.81 TSHR (0.64) ALDH1A1LMNATSHRTDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109942430-B Naphthalene tetracarboxylic ester compound, preparation method thereof and application thereof as lubricating oil 宝鸡文理学院 2021-08-10 CN claimed
CN-109942430-B Naphthalene tetracarboxylic ester compound, preparation method thereof and application thereof as lubricating oil 宝鸡文理学院 2021-08-10 CN disclosed
EP-0263705-B1 THE USE OF THERMOPLASTIC POLYESTER RESIN COMPOSITION FOR UV-SCREENING MITSUBISHI KASEI CORPORATION (JP) 1993-06-30 EP disclosed
US-4814366-A ULTRAVIOLET SCREENING AGENTS MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) 1989-03-21 US disclosed