SCHEMBL8916211

SCHEMBL8916211

O=P(O)(O)C(CCCc1ccccc1)P(=O)(O)O

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 3/20 0.58
ERAP1 Q9NZ08 2/20 0.58
ERAP2 Q6P179 1/20 0.58
ACP3 P15309 1/20 0.56
FDFT1 P37268 3/20 0.56
S1PR2 O95136 2/20 0.55
S1PR4 O95977 2/20 0.55
S1PR1 P21453 2/20 0.55
S1PR3 Q99500 2/20 0.55
TSHR P16473 1/20 0.52
LAP3 P28838 3/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47

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
SCHEMBL9544118 0.90 FDFT1 (0.71) ANPEPERAP1ERAP2ACP3FDFT1
SCHEMBL9632621 0.85 FDFT1 (0.54) ANPEPERAP1ERAP2ACP3FDFT1
SCHEMBL7605703 0.83 ANPEP (0.56) ANPEPERAP1ERAP2ACP3FDFT1
SCHEMBL10711154 0.81 ANPEP (0.54) ANPEPERAP1ERAP2ACP3FDFT1
SCHEMBL9632927 0.81 FDPS (0.57) FDFT1S1PR2S1PR4S1PR1S1PR3
SCHEMBL9662849 0.81 FDPS (0.62) FDFT1S1PR2S1PR4S1PR1S1PR3
SCHEMBL10106389 0.81 FDFT1 (0.64) ANPEPERAP1ERAP2ACP3FDFT1
SCHEMBL9165792 0.79 ANPEP (0.51) ANPEPERAP1ERAP2ACP3FDFT1
SCHEMBL9634062 0.79 FDPS (0.44) FDFT1S1PR2S1PR4S1PR1S1PR3
SCHEMBL17475095 0.79 ANPEP (0.47) ANPEPERAP1ERAP2ACP3S1PR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4371527-A CIRCULATING HIGH DENSITY LIPOPROTEINS AND CLEARING CHOLESTEROL SYMPHAR S.A. (CH) 1983-02-01 US claimed
EP-0015370-B1 DIPHOSPHONATE OR PHOSPHATE-PHOSPHONATE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SYMPHAR S.A. (CH) 1983-01-12 EP claimed
EP-0015370-A1 Diphosphonate or phosphate-phosphonate derivatives and pharmaceutical compositions containing them SYMPHAR S.A. (CH) 1980-09-17 EP claimed
US-5624917-A Method of inhibiting squalene synthetase TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-04-29 US disclosed
EP-0541037-A2 Squalene synthetase inhibitory composition and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-05-12 EP disclosed
US-4416877-A Anti-atherosclerotic pharmaceutical compositions containing diphosphonate compounds SYMPHAR S.A. (CH) 1983-11-22 US disclosed
US-4371527-A CIRCULATING HIGH DENSITY LIPOPROTEINS AND CLEARING CHOLESTEROL SYMPHAR S.A. (CH) 1983-02-01 US disclosed
EP-0015370-B1 DIPHOSPHONATE OR PHOSPHATE-PHOSPHONATE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SYMPHAR S.A. (CH) 1983-01-12 EP disclosed
US-4309364-A Diphosphonates SYMPHAR S.A. (CH) 1982-01-05 US disclosed
EP-0015370-A1 Diphosphonate or phosphate-phosphonate derivatives and pharmaceutical compositions containing them SYMPHAR S.A. (CH) 1980-09-17 EP disclosed