SCHEMBL5693402

SCHEMBL5693402

CC(C)(C)CC(=CN)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 5/20 0.38
TSHR P16473 2/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
TET2 Q6N021 1/20 0.35
GRIK2 Q13002 3/20 0.34
KDM4E B2RXH2 2/20 0.33
HMGCR P04035 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
ADRA1A P35348 1/20 0.33
ABAT P80404 1/20 0.32
GRIA2 P42262 2/20 0.31
GRIA4 P48058 2/20 0.31
GRIK3 Q13003 2/20 0.31
GRIK5 Q16478 2/20 0.31
GRIA1 P42261 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
SCHEMBL5693419 0.81 CYP2D6 (0.32) TSHRCYP2D6CYP2C19HIF1A
SCHEMBL7976834 0.80 GRIK1 (0.41) GRIK1TSHRCYP2D6CYP2C19HIF1A
SCHEMBL5038779 0.78 TET2 (0.37) GRIK1TSHRCYP2D6CYP2C19HIF1A
SCHEMBL3628412 0.76 TSHR (0.50) GRIK1TSHRCYP2D6CYP2C19HIF1A
SCHEMBL9243879 0.76 TSHR (0.50) GRIK1TSHRCYP2D6CYP2C19HIF1A
SCHEMBL3628410 0.76 TSHR (0.50) GRIK1TSHRCYP2D6CYP2C19HIF1A
SCHEMBL2791019 0.76
SCHEMBL5693338 0.76
SCHEMBL3842415 0.73 TET2 (0.33) GRIK1TSHRCYP2D6CYP2C19HIF1A
SCHEMBL757486 0.73 TET2 (0.33) GRIK1TSHRCYP2D6CYP2C19HIF1A

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
EP-1487882-B1 BASE POLYMER OBTAINED BY HYDROGENATION STOCKHAUSEN CHEM FAB GMBH (DE) 2006-05-24 EP disclosed
US-20050215756-A1 Basic polymer obtained by hydrogenation STOCKHAUSEN GMBH (DE) 2005-09-29 US disclosed
EP-1487882-A1 BASE POLYMER OBTAINED BY HYDROGENATION Stockhausen GmbH (DE) 2004-12-22 EP disclosed
WO-2003080682-A1 BASE POLYMER OBTAINED BY HYDROGENATION STOCKHAUSEN GMBH (DE) 2003-10-02 WO disclosed
EP-0570404-A1 AGGLOMERATED POLYMER PARTICLES PRODUCED FROM FINELY DIVIDED WATER-SOLUBLE OR WATER-SWELLABLE POLYMERISATES. BASF AG (DE) 1993-11-24 EP disclosed
EP-0068225-B1 USE OF WATER-SOLUBLE POLYMERS OF DI-C1-C3 ALKYL-AMINO-NEOPENTYL-(METH)ACRYLATES AS RETENTION, DEWATERING AND FLOCCULATING AGENTS BASF Aktiengesellschaft (DE) 1985-11-27 EP disclosed