SCHEMBL9219565

SCHEMBL9219565

O=c1ccn([C@H]2CC[C@@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)O2)c(=O)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DUT P33316 14/20 0.48
HSP90AA1 P07900 1/20 0.42
NT5E P21589 1/20 0.37
TYMP P19971 1/20 0.37
P2RY2 P41231 2/20 0.36
P2RY12 Q9H244 1/20 0.36
BCHE P06276 1/20 0.36

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
SCHEMBL13493930 0.92 DUT (0.42) DUTHSP90AA1NT5ETYMPP2RY2
SCHEMBL9310431 0.84 DUT (0.38) DUTHSP90AA1NT5ETYMPP2RY2
SCHEMBL10699768 0.81 DUT (0.47) DUTNT5EP2RY2P2RY12BCHE
SCHEMBL22666246 0.81 DUT (0.47) DUTNT5EP2RY2P2RY12BCHE
SCHEMBL23808328 0.80 ABL1 (0.46) DUT
SCHEMBL21376702 0.80 ABL1 (0.46) DUT
SCHEMBL21376704 0.80 ABL1 (0.46) DUT
SCHEMBL10463851 0.80 ABL1 (0.46) DUT
SCHEMBL10465192 0.80 ABL1 (0.46) DUT
SCHEMBL24124369 0.80 DUT (0.42) DUTP2RY2BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0682670-A1 DEOXYGENATION OF CIS VICINAL DIOLS RAYLO CHEMICALS INC. (CA) 1995-11-22 EP disclosed
WO-1994018214-A1 DEOXYGENATION OF CIS VICINAL DIOLS TEROCHEM LABORATORIES LIMITED (CA) 1994-08-18 WO disclosed