SCHEMBL933089

SCHEMBL933089

CCCCCCCCCN(P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 1/20 0.53
S1PR1 P21453 1/20 0.53
S1PR3 Q99500 1/20 0.53
S1PR5 Q9H228 1/20 0.53
GGPS1 O95749 9/20 0.50
LPAR3 Q9UBY5 6/20 0.50
LPAR2 Q9HBW0 3/20 0.50
FDPS P14324 10/20 0.48
AGTR1 P30556 1/20 0.48
OPRM1 P35372 1/20 0.48
PDE3A Q14432 1/20 0.48
LPAR1 Q92633 2/20 0.45

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
SCHEMBL10487200 1.00 S1PR2 (0.53) S1PR2S1PR1S1PR3S1PR5GGPS1
SCHEMBL28686742 1.00 S1PR2 (0.53) S1PR2S1PR1S1PR3S1PR5GGPS1
SCHEMBL9816412 0.98 FDPS (0.50) S1PR2S1PR1S1PR3S1PR5GGPS1
SCHEMBL6831213 0.90 MMP1 (0.52) S1PR2S1PR1S1PR3S1PR5GGPS1
SCHEMBL10702679 0.88 LPAR3 (0.51) GGPS1LPAR3LPAR2LPAR1
Methane SCHEMBL10785921 0.88 MMP1 (0.50) S1PR2S1PR1S1PR3S1PR5GGPS1
SCHEMBL5583954 0.87 S1PR2 (0.37) S1PR2S1PR1S1PR3S1PR5GGPS1
SCHEMBL10995960 0.81 S1PR2 (0.53) S1PR2S1PR1S1PR3S1PR5GGPS1
Methane SCHEMBL11500817 0.79 S1PR2 (0.52) S1PR2S1PR1S1PR3S1PR5GGPS1
Phosphoric Acid SCHEMBL23045202 0.78 S1PR2 (0.55) S1PR2S1PR1S1PR3S1PR5GGPS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210177893-A1 Composition and method for treating and healing Medication-Related Osteonecrosis of the Jaw (MRONJ) LIN CHUN NAN (US) 2021-06-17 US disclosed
WO-2019038420-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF OSTEOCLAST DISEASES INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2019-02-28 WO disclosed
US-8772267-B2 Treatment of spinal mechanical pain NEW YORK UNIVERSITY (US) 2014-07-08 US disclosed
US-20140178499-A1 COMPOSITION FOR PREVENTING AND HEALING OSTEONECROSIS OF THE JAW MICROPURE, INC. (US) 2014-06-26 US disclosed
US-8697141-B2 Method and composition for preventing and healing osteonecrosis of the jaw MICROPURE, INC. (US) 2014-04-15 US disclosed
US-20110098252-A1 Treatment of Spinal Mechanical Pain NEW YORK UNIVERSITY (US) 2011-04-28 US disclosed
US-7875597-B2 Intravenously administering a bisphosphonate NEW YORK UNIVERSITY 2011-01-25 US disclosed
US-20100074970-A1 METHOD AND COMPOSITION FOR PREVENTING AND HEALING OSTEONECROSIS OF THE JAW MICROPURE, INC. (US) 2010-03-25 US disclosed
US-20070105822-A1 Novel uses of known drugs SEWELL ANDREW 2007-05-10 US disclosed
WO-2005053681-A2 NOVEL USES OF MEVALONATE PATHWAY BLOCKERS ISIS INNOVATION LIMITED (GB) 2005-06-16 WO disclosed
US-20040087551-A1 Treatment of spinal mechanical pain NEW YORK UNIVERSITY 2004-05-06 US disclosed