SCHEMBL9326875

SCHEMBL9326875

CCCCCCCCCCCCC(OP(=O)(O)O)C1=CC(=O)OC1O

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.46
PTPN1 P18031 1/20 0.41
FDPS P14324 4/20 0.39
PDCD4 Q53EL6 3/20 0.38
S1PR2 O95136 5/20 0.38
S1PR1 P21453 5/20 0.38
S1PR3 Q99500 5/20 0.38
S1PR4 O95977 4/20 0.38
LAP3 P28838 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
SCHEMBL9325205 0.84 PDCD4 (0.41) PDCD4
SCHEMBL9745710 0.82 PDCD4 (0.39) PDCD4
SCHEMBL9745768 0.81 PDCD4 (0.37) FDPSPDCD4LAP3
SCHEMBL9671381 0.81 PDCD4 (0.47) PDCD4
SCHEMBL8985076 0.81 PDCD4 (0.47) PDCD4
SCHEMBL14339054 0.81 PDCD4 (0.47) PDCD4
SCHEMBL9745763 0.80 PDCD4 (0.38) PDCD4
SCHEMBL8985069 0.80 PDCD4 (0.39) PDCD4
SCHEMBL7296014 0.78 PDCD4 (0.47) PDCD4
SCHEMBL9746387 0.78 PDCD4 (0.37) PTPN1PDCD4

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-5322953-A Antiinflammatory agents; intermediates for 2-furanone compounds ALLERGAN, INC. (US) 1994-06-21 US disclosed
US-5298633-A Silane intermediates ALLERGAN, INC. (US) 1994-03-29 US disclosed
EP-0525033-A4 4-(OXYGEN, SULFUR OR NITROGEN SUBSTITUTED)-METHYL 5-HYDROXY-2(5H)-FURANONES AS ANTI-INFLAMMATORY AGENTS 1993-03-10 EP disclosed
EP-0525033-A1 4-(OXYGEN, SULFUR OR NITROGEN SUBSTITUTED)-METHYL 5-HYDROXY-2(5H)-FURANONES AS ANTI-INFLAMMATORY AGENTS ALLERGAN, INC. (US) 1993-02-03 EP disclosed
US-5082954-A Intermediates and processes for preparing 4-substituted 2-5(H)-furanones as anti-inflammatory agents ALLERGAN, INC. (US) 1992-01-21 US disclosed
WO-1991016047-A1 4-(OXYGEN, SULFUR OR NITROGEN SUBSTITUTED)-METHYL 5-HYDROXY-2(5H)-FURANONES AS ANTI-INFLAMMATORY AGENTS ALLERGAN, INC. (US) 1991-10-31 WO disclosed