SCHEMBL9799571

SCHEMBL9799571

CC(C)(C)c1cc(C(C)(C)C)c(N)c(C(C)(C)C)c1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
ALDH1A1 P00352 3/20 0.38
ALOX15 P16050 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP1A2 P05177 2/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ATP2A2 P16615 1/20 0.38
ATP2A3 Q93084 1/20 0.38
CA2 P00918 3/20 0.35
CA1 P00915 2/20 0.35
TYR P14679 2/20 0.33
GLRA3 O75311 1/20 0.33
GLRB P48167 1/20 0.33
CYP2C9 P11712 2/20 0.31
NR1I2 O75469 1/20 0.31
LMNA P02545 1/20 0.31
MIF P14174 1/20 0.31
HTT P42858 1/20 0.31
NFE2L2 Q16236 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
SCHEMBL541137 0.85 POLB (0.48) POLBALDH1A1ALOX15SMN1; SMN2CYP1A2
SCHEMBL9835185 0.78 POLB (0.44) POLBALDH1A1ALOX15SMN1; SMN2CYP1A2
SCHEMBL28480301 0.76 PDE4A (0.37) ALDH1A1SMN1; SMN2MAPTHSD17B10
SCHEMBL2154134 0.74 POLB (0.40) POLBALDH1A1ALOX15SMN1; SMN2CYP1A2
SCHEMBL31589510 0.74 POLB (0.41) POLBALDH1A1ALOX15SMN1; SMN2CYP1A2
SCHEMBL7941748 0.72 POLB (0.56) POLBALDH1A1CYP1A2KDM4ECYP2C9
SCHEMBL1930777 0.72 ALDH1A1 (0.56) POLBALDH1A1ALOX15SMN1; SMN2CYP1A2
SCHEMBL139484 0.72 POLB (0.56) POLBALDH1A1ALOX15SMN1; SMN2CYP1A2
SCHEMBL396833 0.72 CA2 (0.52) POLBALDH1A1ALOX15SMN1; SMN2CYP1A2
SCHEMBL9812320 0.72 CA2 (0.31) POLBALDH1A1MAPTCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0228190-B1 RIM POLYURETHANES COMPRISING MIXED DIAMINE CHAIN EXTENDERS AND PROCESS AND COMPOSITION FOR THEIR PRODUCTION ETHYL CORPORATION (US) 1991-02-27 EP disclosed
EP-0228190-A2 RIM polyurethanes comprising mixed diamine chain extenders and process and composition for their production ETHYL CORPORATION (US) 1987-07-08 EP disclosed
US-4631298-A REACTION INJECTION MOLDING POLYURETHANES ETHYL CORPORATION (US) 1986-12-23 US disclosed