SCHEMBL16256549

SCHEMBL16256549

Cc1ncnc2c1ncn2[C@@H]1O[C@H](COC(=O)C(C)C)[C@H]2OC(C)(C)O[C@H]21

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.56
▸ PI4KA P42356 1/20 0.56
▸ PI4K2B Q8TCG2 1/20 0.56
▸ PI4K2A Q9BTU6 1/20 0.56
▸ PI4KB Q9UBF8 1/20 0.56
▸ P2RX3 P56373 4/20 0.53
▸ P2RX1 P51575 3/20 0.53
▸ P2RX4 Q99571 3/20 0.53
▸ AMD1 P17707 2/20 0.45
▸ MARS1 P56192 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ ADORA1 P30542 1/20 0.39
▸ AHCY P23526 1/20 0.39
▸ HSP90B1 P14625 1/20 0.39
▸ P2RX2 Q9UBL9 1/20 0.39
▸ GAA P10253 1/20 0.38

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
SCHEMBL16256553 0.92 RXFP1 (0.55) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL16579246 0.90 RXFP1 (0.58) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL16256555 0.83 MARS1 (0.61) P2RX3P2RX1P2RX4MARS1ALDH1A1
SCHEMBL16256552 0.83 PI4KA (0.78) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL16020541 0.83 RXFP1 (0.70) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL12379161 0.83 RXFP1 (0.70) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL25354612 0.81 RXFP1 (0.49) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL1799672 0.81 RXFP1 (0.54) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL20133912 0.81 PI4KA (0.65) RXFP1PI4KAPI4K2BPI4K2API4KB
SCHEMBL20133914 0.81 PI4KA (0.57) RXFP1PI4KAPI4K2BPI4K2API4KB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895530-B2 Method of reducing intraocular pressure in humans INOTEK PHARMACEUTICALS CORPORATION (US) 2014-11-25 — — US disclosed
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