SCHEMBL8040360

SCHEMBL8040360

[CH2]C(C#N)OC1C[C@H](n2ccc(NC(=O)c3ccccc3)nc2=O)O[C@@H]1COC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
ABL1 P00519 1/20 0.43
RIN1 Q13671 1/20 0.43
P2RY6 Q15077 4/20 0.39
P2RY14 Q15391 2/20 0.39
NT5E P21589 2/20 0.39
TYMP P19971 5/20 0.37
ADORA3 P0DMS8 2/20 0.34
P2RY2 P41231 2/20 0.34
P2RY4 P51582 2/20 0.34
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
F2 P00734 1/20 0.32
SLC6A1 P30531 1/20 0.31

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
SCHEMBL6932396 0.88 POLB (0.59) POLBABL1RIN1P2RY6P2RY14
SCHEMBL30536137 0.87 POLB (0.53) POLBABL1RIN1P2RY6P2RY14
SCHEMBL17992980 0.87 POLB (0.59) POLBABL1RIN1P2RY6P2RY14
SCHEMBL23157266 0.85 POLB (0.56) POLBABL1RIN1P2RY6P2RY14
SCHEMBL5925303 0.85 POLB (0.56) POLBABL1RIN1P2RY6P2RY14
SCHEMBL23056641 0.85 POLB (0.56) POLBABL1RIN1P2RY6P2RY14
SCHEMBL5358852 0.85 POLB (0.56) POLBABL1RIN1P2RY6P2RY14
SCHEMBL14049948 0.84 POLB (0.58) POLBABL1RIN1P2RY6P2RY14
SCHEMBL30547473 0.84 POLB (0.55) POLBABL1RIN1P2RY6P2RY14
SCHEMBL17090840 0.84 POLB (0.57) POLBABL1RIN1P2RY6P2RY14

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
US-6084082-A SOLID PHASE SYNTHESIS BY ATTACHING BETA-LACTAM HAVING NUCLEOBASE TO SOLID SUPPORT, DEPROTECTING HYDROXY GROUP, REACTING FREE HYDROXYL GROUP WITH BETA-LACTAMTIDE HAVING ACTIVATED PHOSPHITE GROUP, AND OXIDIZING ISIS PHARMACEUTICALS, INC. (US) 2000-07-04 US disclosed
US-5510476-A SOLID PHASE SYNTHESIS USING AN ACIDIC SOLUTION OF THE SCAVENGER TO DEPROTECT THE 5'-HYDROXY AND NEUTRALIZE THE CARBO ANION RELEASED; HIGH YIELDS ISIS PHARMACEUTICALS, INC. (US) 1996-04-23 US disclosed