SCHEMBL6856498

SCHEMBL6856498

CC(C)(C)ON(C=O)c1ccccc1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
ALDH1A1 P00352 3/20 0.39
ALOX15 P16050 2/20 0.39
HTT P42858 1/20 0.38
PTPN1 P18031 9/20 0.38
KDM4E B2RXH2 4/20 0.38
MAPT P10636 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
POLB P06746 1/20 0.37
CDC25B P30305 1/20 0.37
TSHR P16473 2/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
ESR1 P03372 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
HMGB1 P09429 1/20 0.37
GGT1 P19440 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 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
SCHEMBL2831679 0.76 CHEK1 (0.31) ALDH1A1ALOX15TDP1HSD17B10PTGS1
SCHEMBL10382826 0.74 MEN1 (0.35) ALDH1A1ALOX15HTTTDP1TSHR
SCHEMBL7130790 0.74 LMNA (0.43) LMNAALDH1A1PTPN1KDM4ETSHR
SCHEMBL5524626 0.73 ALDH1A1 (0.48) LMNAALDH1A1ALOX15HTTPTPN1
SCHEMBL8816297 0.71 ALDH1A1 (0.40) ALDH1A1MAPTTDP1POLBTSHR
SCHEMBL7429745 0.70 NFE2L2 (0.36)
SCHEMBL1690946 0.69 ALDH1A1 (0.39) LMNAALDH1A1ALOX15HTTPTPN1
SCHEMBL9280537 0.68 ALDH1A1 (0.46) LMNAALDH1A1ALOX15PTPN1KDM4E
SCHEMBL18158039 0.68 ALDH1A1 (0.56) LMNAALDH1A1ALOX15HTTPTPN1
SCHEMBL972143 0.68 ALDH1A1 (0.56) LMNAALDH1A1ALOX15HTTPTPN1

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
US-6828392-B2 For use as solid supports for organic synthesis, for enzymatic assays, for immobilization of biomolecules, for controlled release of drugs, and for chromatographic separations CARLSBERG A/S (DK) 2004-12-07 US disclosed
US-20030096918-A1 Hydroxy and amine functionalised resins CARLSBERG A/S (DK) 2003-05-22 US disclosed