SCHEMBL8085742

SCHEMBL8085742

COc1cc(COP(C)(=O)O)ccc1OC(C)=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.57
▸ TSHR P16473 2/20 0.52
▸ PKM P14618 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ NR3C1 P04150 1/20 0.46
▸ JUN P05412 1/20 0.45
▸ NFKB1 P19838 1/20 0.45
▸ LTA4H P09960 2/20 0.45
▸ ABL1 P00519 1/20 0.44
▸ RIN1 Q13671 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ VCP P55072 1/20 0.44
▸ CCR5 P51681 1/20 0.43
▸ TNFSF11 O14788 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ LDHA P00338 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42

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
SCHEMBL8085708 0.90 PTGS1 (0.58) PTGS1TSHRPKMRAB9ANPC1
SCHEMBL5133639 0.77 PTGS1 (0.68) PTGS1TSHRPKMRAB9ANPC1
SCHEMBL101653 0.77 PTGS1 (0.68) PTGS1TSHRRAB9ANPC1NR3C1
SCHEMBL27792356 0.77 CA2 (0.53) TSHRNPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL27618225 0.77 PTGS1 (0.63) PTGS1TSHRNR3C1JUNNFKB1
SCHEMBL3531124 0.76 LMNA (0.47) TSHRPKMRAB9ANPC1SMN1; SMN2
SCHEMBL8779397 0.76 PTGS1 (0.66) PTGS1TSHRNR3C1JUNNFKB1
SCHEMBL7650416 0.76 PTGS1 (0.66) PTGS1TSHRPKMRAB9ANPC1
SCHEMBL20117542 0.76 PTGS1 (0.66) PTGS1TSHRPKMRAB9ANPC1
SCHEMBL2352673 0.75 MTNR1A (0.48) PTGS1TSHRRAB9ANPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6140310-A ADMINISTERING AN EFFECTIVE AMOUNT OF PHOSPHORUS PRODRUG IN A MAMMAL FOR TREATING A VIRAL INFECTION DRUG INNOVATION & DESIGN, INC. (US) 2000-10-31 — — US disclosed
US-5789608-A LIPID SOLUBLE; DIFFUSE INTO CELLS AND TISSUE; VIRICIDES, ANTICANCER AGENTS DRUG INNOVATION AND DESIGN, INC. (US) 1998-08-04 — — US disclosed
US-5627165-A ANTIVIRAL AND ANTILEUKEMIA AGENTS DRUG INNOVATION & DESIGN, INC. (US) 1997-05-06 — — US disclosed
EP-0533833-B1 PHOSPHOROUS PRODUGS GLAZIER ARNOLD (US) 1995-12-20 — — EP disclosed
EP-0533833-A1 PHOSPHOROUS PRODRUGS. GLAZIER ARNOLD (US) 1993-03-31 — — EP disclosed
WO-1991019721-A1 PHOSPHOROUS PRODUGS GLAZIER ARNOLD (US) 1991-12-26 — — WO disclosed
Send feedback