SCHEMBL8653303

SCHEMBL8653303

CCOC(=O)CC(C(=O)O)C(CC(=O)OCC)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.50
GAA P10253 1/20 0.50
SI P14410 1/20 0.50
MGAM2 Q2M2H8 1/20 0.50
ALDH1A1 P00352 7/20 0.46
TRPA1 O75762 1/20 0.46
TDP1 Q9NUW8 2/20 0.46
TSHR P16473 2/20 0.42
ALOX15 P16050 3/20 0.42
CYP3A4 P08684 2/20 0.42
HSD17B10 Q99714 2/20 0.41
CHRM1 P11229 1/20 0.41
ADORA1 P30542 1/20 0.41
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
SOAT1 P35610 1/20 0.39
HCAR2 Q8TDS4 1/20 0.37
CYP2D6 P10635 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HTT P42858 1/20 0.37

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
Undecane SCHEMBL8665413 0.90 PAM (0.43) MGAMGAASIMGAM2LMNA
SCHEMBL2637863 0.89 MGAM (0.44) MGAMGAASIMGAM2ALDH1A1
SCHEMBL8653300 0.88 TDP1 (0.52) MGAMGAASIMGAM2ALDH1A1
SCHEMBL6670672 0.87 MGAM (0.43) MGAMGAASIMGAM2ALDH1A1
SCHEMBL5828215 0.87 MGAM (0.43) MGAMGAASIMGAM2ALDH1A1
SCHEMBL6668710 0.86 MGAM (0.41) MGAMGAASIMGAM2ALDH1A1
SCHEMBL6668706 0.84 MGAM (0.40) MGAMGAASIMGAM2ALDH1A1
SCHEMBL15788147 0.84 MGAM (0.40) MGAMGAASIMGAM2ALDH1A1
SCHEMBL8917503 0.83 ALDH1A1 (0.54) MGAMGAASIMGAM2ALDH1A1
SCHEMBL9540715 0.83 MGAM (0.52) MGAMGAASIMGAM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5849821-A Tris-aryl-s-triazines substituted with biphenylyl groups CIBA SPECIALTY CHEMICALS CORPORATION (US) 1998-12-15 US claimed
US-5849821-A Tris-aryl-s-triazines substituted with biphenylyl groups CIBA SPECIALTY CHEMICALS CORPORATION (US) 1998-12-15 US disclosed
US-5844025-A 1,2-Bis-adducts of stable nitroxides with substituted ethylenes and stabilized compositions CIBA SPECIALTY CHEMICALS CORPORATION (US) 1998-12-01 US disclosed
US-5726309-A ULTRAVIOLET RADIATION ABSORBERS; THERMAL STABILIZERS FOR POLYMER SUBSTRATES, ESPECIALLY AUTOMOTIVE COATINGS CIBA SPECIALTY CHEMICALS CORPORATION (US) 1998-03-10 US disclosed
US-5684070-A FILM WITH TRIAZINE RESORCINOL COMPOUND STABILIZERS FOR RADIATION RESISTANCE CIBA SPECIALTY CHEMICALS CORPORATION (US) 1997-11-04 US disclosed