SCHEMBL8767191

SCHEMBL8767191

CCOC(=O)C(C(=O)OCC)(c1ccccc1)P(=O)(O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
POLB P06746 3/20 0.50
PIN1 Q13526 2/20 0.49
ALDH1A1 P00352 1/20 0.43
RECQL P46063 1/20 0.43
MMP8 P22894 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PTPN1 P18031 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
ATM Q13315 1/20 0.42
TSHR P16473 1/20 0.42
KCNN4 O15554 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40

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
SCHEMBL3342028 0.94 SMN1; SMN2 (0.49) SMN1; SMN2POLBPIN1ALDH1A1RECQL
SCHEMBL1450569 0.83 SMN1; SMN2 (0.51) SMN1; SMN2POLBPIN1ALDH1A1RECQL
SCHEMBL3347103 0.82 TSHR (0.45) POLBALDH1A1MEN1KMT2ANPSR1
SCHEMBL3346075 0.81 LMNA (0.46) SMN1; SMN2POLBALDH1A1MEN1KMT2A
SCHEMBL11578597 0.81 SMN1; SMN2 (0.49) SMN1; SMN2POLBPIN1ALDH1A1RECQL
SCHEMBL2352698 0.78 SMN1; SMN2 (0.49) SMN1; SMN2POLBPIN1ALDH1A1RECQL
SCHEMBL2352709 0.77 ALDH1A1 (0.51) SMN1; SMN2POLBPIN1ALDH1A1RECQL
SCHEMBL5639395 0.77 PIN1 (0.56) SMN1; SMN2POLBPIN1ALDH1A1RECQL
SCHEMBL1647761 0.77 KCNN4 (0.62) SMN1; SMN2POLBPIN1ALDH1A1RECQL
SCHEMBL395978 0.75 PIN1 (0.54) SMN1; SMN2POLBPIN1ALDH1A1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0584191-B1 NOVEL AROMATIC AND POLYCYCLIC COMPOUNDS AND THEIR USE IN HUMAN OR VETERINARY MEDICINE AND IN COSMETICS CIRD GALDERMA (FR) 1997-08-13 EP disclosed
EP-0584191-A1 NOVEL AROMATIC AND POLYCYCLIC COMPOUNDS AND THEIR USE IN HUMAN OR VETERINARY MEDECINE AND IN COSMETICS. CIRD GALDERMA (FR) 1994-03-02 EP disclosed
WO-1992019583-A1 NOVEL AROMATIC AND POLYCYCLIC COMPOUNDS AND THEIR USE IN HUMAN OR VETERINARY MEDECINE AND IN COSMETICS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1992-11-12 WO disclosed